Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE006934 |
ID: | TCMBANKHE006934 |
植物拉丁名: |
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功能与主治: | To dispel cold from the spleen and the stomach, to promote recovery from collapse, and to eliminate damp and phlegm./Cold pain in stomach duct and abdomen, vomiting, diarrhea, yang -collapse reversal flow, cold rheum asthma cough, cold-damp impediment pain. |
药用植物名: | 干姜 |
药用部位: | dried rhizome |
药味: | Hot; Pungent |
经络: | Lung; Spleen; Stomach; Heart; Kidney |
治疗类型: | 温里药 |
TCM_ID_id: | 1656 |
SymMap_id: | 136 |
TCMSP_id: | 260 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000100 | lauric acid | NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O |
| TCMBANKIN000265 | gingerglycolipid C_qt | C33H60O14 | 680.82 | ||
| TCMBANKIN000631 | Onjixanthone I | 7-hydroxy-1,2,3-trimethoxy-xanthone; AC1NSZAM; 7-hydroxy-1,2,3-trimethoxy-9-xanthenone; onjixanthone i; 7-hydroxy-1,2,3-trimethoxyxanthen-9-one; 7-hydroxy-1,2,3-trimethoxy-xanthen-9-one | C16H14O6 | 302.28 g/mol | COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)OC)OC |
| TCMBANKIN002476 | Decamethylenediol | 4-01-00-02613 (Beilstein Handbook Reference); D1203_ALDRICH; Decane-1,10-diol; NSC17165; SBB008880; AI3-09208; BRN 1698975; alpha,omega-Decanediol; NSC 17165; 1,6-Bis(2-hydroxyethyl)hexane; .alpha.,.omega.-Decanediol; 112-47-0; 1,10-Dihydroxydecane; 1,10-Decanediol; EINECS 203-975-2; 1,10-Decamethylene diol; 1,10-Decamethylenediol; ZINC01758367; 30580_FLUKA; Decamethylene glycol | C10H22O2 | 174.28 | C(CCCCCO)CCCCO |
| TCMBANKIN002787 | (S)-(+)-alpha-Phellandrene | C11391; (5S)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methyl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methylcyclohexa-1,3-diene; 2243-33-6; (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene | C10H16 | 136.23 | CC1=CCC(C=C1)C(C)C |
| TCMBANKIN003078 | 5 ξ-hydroxy-7-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(4-hydroxy-3-methoxyphenyl)-3-heptanone | C22H28O7 | |||
| TCMBANKIN005306 | 2-Hexanoylfuran | 2-hexanoylfuran; 1-(2-furyl)hexan-1-one; 1-Hexanone, 1-(2-furyl)-; 14360-50-0; 1-(2-Furanyl)-1-hexanone; FR-1262; FEMA No. 3418; Pentyl 2-furyl ketone; NSC27361; SBB008342; NSC 27361; 1-(2-Furyl)-1-hexanone; AI3-26556; 1-Hexanone, 1-(2-furanyl)-; EINECS 238-333-0; InChI=1/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H; 1-furan-2-ylhexan-1-one; 2-Furyl pentyl ketone; 2-Furyl n-pentyl ketone; 1-(2-Furyl)hexanone | C10H14O2 | 166.22 | CCCCCC(=O)C1=CC=CO1 |
| TCMBANKIN005740 | (-)-Citronellal | (S)-(-)-Citronellal; ZINC01532245; C11384; (S)-3,7-Dimethyloct-6-enal; (3S)-3,7-dimethyloct-6-enal; (S)-3,7-dimethyl-6-octenal; LMPR01020075; (−)-Citronellal; (S)-(−)-Citronellal; nchembio882-comp8; 5949-05-3; 27468_FLUKA; CHEBI:368; (3S)-3,7-dimethyl-6-octenal; 373753_ALDRICH | C10H18O | 154.25 g/mol | CC(CCC=C(C)C)CC=O |
| TCMBANKIN005793 | Mesotrihydroxypiperidine | mesotrihydroxypiperidine | C5H11NO3 | 133.15 | |
| TCMBANKIN006892 | dehydrosafynol | Dehydrosafynol; 1540-85-8; C08447; DTXSID00415074; (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol; (2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol; AC1NQY3W; CHEBI:4370; LMFA05000649 | C13H10O2 | 198.22 g/mol | CC=CC#CC#CC#CC#CC(CO)O |
| TCMBANKIN007015 | 4-(1,5-Dimethylhex-4-enyl)cyclohex-2-enone | 4-(1, 5-Dimethylhex-4-enyl)cyclohex-2-enone | C14H22O | 206.32 | CC(CCC=C(C)C)C1CCC(=O)C=C1 |
| TCMBANKIN007421 | ginketin | ||||
| TCMBANKIN007431 | Linoleyl acetate | octadeca-9,12-dien-1-yl acetate; acetic acid [(9E,12E)-octadeca-9,12-dienyl] ester; [(9E,12E)-octadeca-9,12-dienyl] ethanoate; 5999-95-1; FT-0635935; linoleyl acetate; [(9E,12E)-octadeca-9,12-dienyl] acetate | C20H36O2 | 308.5 | CCCCCC=CCC=CCCCCCCCCOC(=O)C |
| TCMBANKIN007637 | (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane | C10H16 | 136.23 g/mol | CC(C)C12CCC(=C)C1C2 |
| TCMBANKIN007750 | 5 ξ-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone | C20H24O5 | |||
| TCMBANKIN008212 | 9-Octadecenoic acid (Z)-, 3-((6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy)-2-hydroxypropyl ester, (S)- | 35949-86-1; (Z)-octadec-9-enoic acid [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl] ester; (Z)-octadec-9-enoic acid [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-4-tetrahydropyranyl] ester; [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (Z)-octadec-9-enoate; [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl] (Z)-octadec-9-enoate | C33H60O14 | 680.82 | CCCCCCCCC=CCCCCCCCC(=O)OC1(C(C(OC(C1(O)O)OCCC)COC2C(C(C(C(O2)CO)O)O)O)O)O |
| TCMBANKIN008275 | gingerglycolipid A_qt | C33H56O14 | 676.79 | ||
| TCMBANKIN009104 | (1S,4aR,8aR)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | (1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | C15H24 | 204.35 | |
| TCMBANKIN009801 | Safynol | safynol; AC1O5XQ1; LMFA05000697; C08458; (2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol; 27978-14-9; (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol; (2S,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol | C13H12O2 | 200.23 | CC=CC#CC#CC#CC=CC(CO)O |
| TCMBANKIN009856 | .beta.-Fenchyl acetate, exo- | [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 | C12H20O2 | 196.29 | CC(=O)OC1C(C2CCC1(C2)C)(C)C |
| TCMBANKIN009871 | (2R)-2,6-dimethylhept-5-enal | ZINC01851029 | C9H16O | 140.22 | |
| TCMBANKIN011990 | [(3S)-3,7-dimethyloct-7-enyl] acetate | acetic acid [(3S)-3,7-dimethyloct-7-enyl] ester; [(3S)-3,7-dimethyloct-7-enyl] ethanoate | C12H22O2 | 198.3 | |
| TCMBANKIN012158 | 2-Methylhept-2-ene | EINECS 211-022-7; 2-Heptene, 2-methyl-; 118613_ALDRICH; 2-METHYL-2-HEPTENE; 67280_FLUKA; NSC102776; 627-97-4 | C8H16 | 112.21 | CCCCC=C(C)C |
| TCMBANKIN012232 | Gingerglycolipid A | beta-D-Galactopyranoside, 2-hydroxy-3-((1-oxo-9,12,15-octadecatrienyl)oxy)propyl 6-O-alpha-D-galactopyranosyl-, (S-(Z,Z,Z))-; gingerglycolipid a; (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-4-tetrahydropyranyl] ester; (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl] ester; [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate; 3'-O-Linolenoylglyceryl 6-O-galactopyranosyl-galactopyranoside; 145937-22-0; [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate | C33H56O14 | 676.79 | CCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)(O)OC(=O)CCCCCCCC=CCC=CCC=CCC)(O)O |
| TCMBANKIN013168 | Isoginkgetin | KBio1_001473; KBio3_002064; BRD-K72661036-001-02-1; CS-5763; KBio2_006022; NCGC00094722-01; Spectrum4_001945; Spectrum5_000819; SDCCGMLS-0066448.P001; 4H-1-Benzopyran-4-one,8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-; CCG-38579; Spectrum2_000302; Y0114; isoginkgetin ; KBioSS_000886; 2-(4-Methoxyphenyl)-5,7-dihydroxy-8-[2-methoxy-5-(4-oxo-5,7-dihydroxy-4H-1-benzopyran-2-yl)phenyl]-4H-1-benzopyran-4-one; NCGC00094722-02; SPBio_000264; ZINC3197535; CHEBI:79087; 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; Spectrum_000406; HY-N2117; SpecPlus_000433; isoginkgetin; BSPBio_002844; 8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4-chromenone; MolPort-003-665-806; FT-0706639; 8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromone; SC-20446; KBio2_000886; Spectrum3_001112; BDBM50323203; NCGC00178438-01; KBioGR_002352; AKOS032948383; 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; 548-19-6; 3''',8-Biflavone, 5,5'',7,7''-tetrahydroxy-4',4'''-dimethoxy-; iso-ginkgetin; HUOOMAOYXQFIDQ-UHFFFAOYSA-N; 4',4'''-Dimethylamentoflavone; AC1NSX10; 4CN-1291; 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-; DivK1c_006529; 8-(5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one; DTXSID00203271; KBio2_003454; CHEMBL1208903 | C32H22O10 | 566.51 | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC |
| TCMBANKIN014057 | C10230 | C41H28O27 | 952.64 | C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O | |
| TCMBANKIN015110 | onjixanthone ii | 1,3,6-trihydroxy-2,7-dimethoxyxanthen-9-one; AC1NSZAP; 1,3,6-trihydroxy-2,7-dimethoxyxanthone; SCHEMBL9615436; Onjixanthone II | C15H12O7 | 304.25 g/mol | COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O |
| TCMBANKIN015336 | 6-heptadecenyl salicylic acid | 374.62 | |||
| TCMBANKIN015861 | 3-hexanone | C6H12O | 100.16 g/mol | CCCC(=O)CC | |
| TCMBANKIN015934 | neocarthamin | Neocarthamin; (2S)-6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside; carthamidin 5-O-beta-glucoside; CHEBI:81267; C17675 | C21H22O11 | 450.4 g/mol | C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O |
| TCMBANKIN015950 | chlorohydrin | 162086-EP2284147A2; 157406-EP2284163A2; 157422-EP2284163A2; 157463-EP2284163A2; 157437-EP2284162A2; 157406-EP2275417A2; 157463-EP2275417A2; 157406-EP2284162A2; 157437-EP2284163A2; 157437-EP2275417A2; 162086-EP2284146A2; 157422-EP2284162A2; 157463-EP2284162A2; 157422-EP2275417A2 | C3H4ClO2 | 107.51 g/mol | C(C(=O)CCl)[O] |
| TCMBANKIN016327 | 6-gingediol-3-acetate | C19H30O5 | 338.44 | ||
| TCMBANKIN017820 | meso-3,5-diacetoxy-1,7-bis-(4-hydroxy-3-methoxyphenyl)heptane | ||||
| TCMBANKIN018592 | (+)-1,5-Epoxy-nor-ketoguaia-11-ene | (+)-1,5-epoxy-nor-ketoguaia-11-ene; 1,5-Epoxy-14-nor-11-guaien-10-one | C14H20O2 | 220.31 g/mol | CC1CCC23C1(O2)CC(CCC3=O)C(=C)C |
| TCMBANKIN018629 | 6-gingediol-5-acetate | C19H30O5 | 338.44 | ||
| TCMBANKIN018669 | safranal | EBD956040; 2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde; 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene; CHEMBL3183495; 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde; AT-2733; EINECS 204-133-7; 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI; CAS-116-26-7; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H; 2,6,6-Trimethyl-1,3-cyclohexadienal; 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene; Safranal; 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-; 2.2.6-Trimethyl-I""4.6-dihydrobenzaldehyd; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3; 3,4-didehydro-7-apo-b-caroten-7-al; AK400488; UNII-4393FR07EA; AC1Q2EVK; Dehydro-beta-cyclocitral; C-02865; AN-22757; LS-3133; Dehydro-b-cyclocitral; DSSTox_GSID_49398; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;; AC1Q6BK7; FT-0631664; (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal; DSSTox_RID_83473; FEMA 3389; C17062; Safranal;; 4393FR07EA; 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal; DSSTox_CID_29357; NCGC00260271-01; ZINC1851022; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde; AC1L1UF0; SCHEMBL23561; CJ-30568; DB-019750; 116-26-7; FEMA No. 3389; 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-; 2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;; A803586; 17306_FLUKA; 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal; SGAWOGXMMPSZPB-UHFFFAOYSA-; CHEBI:53169; FCH1119840; SGAWOGXMMPSZPB-UHFFFAOYSA-N; AKOS022504707; Tox21_202723; KB-16884; W338907_ALDRICH; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde; CC-06928; Safranal, >=90%, stabilized; DTXSID7049398; J-003414; 2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #; 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; VZ22271; CTK7H7827; 2,3-Dihydro-2,2,6-trimethylbenzaldehyde | C10H14O | 150.22 | CC1=C(C(CC=C1)(C)C)C=O |
| TCMBANKIN018728 | alpha-onocerin | (2S,4aR,5S,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-6-methylenedecahydronaphthalen-2-ol; MolPort-006-111-540; GESZMTVZGWZBPW-IHIDZKKCSA-; 2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)-; 8,14-secogammacera-8(26),14(27)-diene-3beta,21alpha-diol; (3beta,21alpha)-8,14-Secogammacera-8(26),14(27)-diene-3,21-diol; ZINC38605938; alpha-Onocerol; α-onocerin; C21734; Alpha-onocerin, primary pharmaceutical reference standard; CHEBI:138303; (2S,4AR,5S,8AR)-5-{2-[(1S,4AR,6S,8AR)-6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLIDENE-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYL}-1,1,4A-TRIMETHYL-6-METHYLIDENE-HEXAHYDRO-2H-NAPHTHALEN-2-OL; MCULE-4277793393; EINECS 208-118-6; W2391; 511-01-3; InChI=1/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1; alpha-Onocerin; SC-97924; (+)-alpha-onocerin | C30H50O2 | 442.7 g/mol | CC1(C2CCC(=C)C(C2(CCC1O)C)CCC3C(=C)CCC4C3(CCC(C4(C)C)O)C)C |
| TCMBANKIN019349 | 2-nonanone | DTXSID2022125; FEMA No. 2785; 30642-09-2; Tox21_303845; TRA0044632; MFCD00009553; CAS-821-55-6; Heptyl methyl ketone; METHYL HEPTYL KETONE FCC; ACMC-209pnb; ANW-37509; 2- Nonanone; KSC220E7J; FT-0658401; 2-Nonanone, >=99%, FCC, FG; STL146543; 2-Nonanone, natural, >=97%, FCC, FG; N0293; 52000_FLUKA; 2-NONANONE; ST51047545; WLN: 7V1; Methyl heptyl ketone; ZE5K73YN2Z; W278505_ALDRICH; I14-4192; BG00600425; METHYL N-HEPTYL KETONE; KS-000011E9; A840259; NCGC00357115-01; VKCYHJWLYTUGCC-UHFFFAOYSA-N; NONANONE-2; RTR-025712; CHEMBL2228473; Nonanone; BBL011435; W278513_ALDRICH; AN-20502; Nonan-2-one; LS-2987; EINECS 212-480-0; UNII-ZE5K73YN2Z; AKOS005720803; SCHEMBL4089642; 63969_FLUKA; TR-025712; DSSTox_CID_2125; AS-10570; SCHEMBL626185; NSC-14760; .beta.-Nonanone; 2-Nonanone, >=99%; KB-25771; AC1L217X; ZINC1653216; AK325631; DSSTox_GSID_22125; Ketone, heptyl methyl; CHEBI:77927; NSC14760; n-HEPTYL METHYL KETONE; n-C7H15COCH3; 2-Nonanone (natural); NSC 14760; EN300-19772; MolPort-001-787-669; InChI=1/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H; 108731_ALDRICH; beta-Nonanone; RL05133; AC1Q2VVN; BRN 1743645; MCULE-9635928766; BB_SC-6918; LMFA12000052; SCHEMBL103970; SBB061540; 821-55-6; 2-Nonanone, analytical standard; NE10665; CTK1C0274 | C9H18O | 142.24 | CCCCCCCC(=O)C |
| TCMBANKIN019586 | [(3R)-3,7-dimethyloct-6-enyl] butanoate | butanoic acid [(3R)-3,7-dimethyloct-6-enyl] ester; butyric acid [(3R)-3,7-dimethyloct-6-enyl] ester | C14H26O2 | 226.35 | |
| TCMBANKIN021113 | Zingiberoside A3_qt | C45H72O17 | 885.04 | ||
| TCMBANKIN021392 | zingiberene | CHEMBL479020; 495-60-3; 1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (S-(R*,S*))-; (5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methylcyclohexa-1,3-diene; (5S)-5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-1,3-cyclohexadiene; (5R)-5-[(1S)-1,5-dimethylhex-4-enyl]-2-methyl-cyclohexa-1,3-diene; (S-(R*,S*))-5-(1,5-Dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene; AKOS015968402; Zingiberene; (5S)-2-Methyl-5-[(1R)-1,5-dimethyl-4-hexenyl]-1,3-cyclohexadiene; alpha-Zingiberene; [S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene; EINECS 207-804-2; LMPR01030039; ent-Zingiberene; ZINC44431718; (5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene; C09750; (5S)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene; CHEBI:583099; (+)-zingiberene | C15H24 | 204.35 g/mol | CC1=CCC(C=C1)C(C)CCC=C(C)C |
| TCMBANKIN021406 | [(3S)-3,7-dimethyloct-6-enyl] acetate | acetic acid [(3S)-3,7-dimethyloct-6-enyl] ester; [(3S)-3,7-dimethyloct-6-enyl] ethanoate; ZINC02040946 | C12H22O2 | 198.3 | |
| TCMBANKIN022321 | (1R,5R,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene | C10H16 | 136.23 | ||
| TCMBANKIN022956 | Cyclopropyl ketone | Dicyclopropyl ketone; EINECS 214-331-5; NSC49148; AI3-37701; InChI=1/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H; DICYCLOPROPYL-KETON; Dicyclopropylketone; NSC 49148; Methanone, dicyclopropyl- (9CI); ZINC01681235; 36720_FLUKA; Cyclopropyl ketone (8CI); Methanone, dicyclopropyl-; 126047_ALDRICH; 1121-37-5; dicyclopropylmethanone | C7H10O | 110.15 | C1CC1C(=O)C2CC2 |
| TCMBANKIN023115 | Gingerenone B | 7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one; AC1NSVUH; (E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; gingerenone b; (E)-7-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one | C22H26O6 | 386.44 | COC1=CC(=CC(=C1O)OC)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC |
| TCMBANKIN023309 | himachalene | Himachalene; 1H-Benzocycloheptene, 2, 4a, 5, 6, 7, 8-hexahydro-3, 5, 5, 9-tetramethyl-, (R)- | C15H24 | 204.35 | CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
| TCMBANKIN024714 | (2R)-heptan-2-ol | (R)-(−)-2-Heptanol; 408697_ALDRICH; 07225_FLUKA; ZINC01577208 | C7H14O | 114.19 | CCCCCC(C)O |
| TCMBANKIN026160 | ZINC01850974 | C10H16O | 152.23 | ||
| TCMBANKIN026485 | safflomin a | AC1O5ZFL; 146087-19-6; X1163; MolPort-023-220-746; hydroxysafflor-yellow-A; C27H32O16; Safflomin A; HY-N0567; 78281-02-4; 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-prop-2-en-1-yl)]cyclohexa-2,5-dien-1-one; CS-4544; (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione; AN-36701; MolPort-039-052-304; 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)]-2,5-cyclohexadien-1-one; CHEBI:139030; Hydroxy safflor yellow A; 281H024; LS-185836; 2,5-Cyclohexadien-1-one, 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-; HSYA; W-201291; Hydroxysafflor Yellow A; 2-Hydroxy-4-(€-3-(4-hydroxyphenyl)acryloyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethy, AldrichCPR; (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]cyclohex-4-ene-1,3-dione | C27H32O16 | 612.5 g/mol | C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O |
| TCMBANKIN026797 | -cis-.beta.-Elemene diastereomer | (1S,2R,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane; (1S,2R,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane; (1S,2R,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane | C15H24 | 204.35 | |
| TCMBANKIN026920 | saffloryellow | C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(O)OC4C(C(C(C(O4)CO)O)O)O)OC5C3OC(C(C5O)O)CO)O)O | |||
| TCMBANKIN027559 | p-mentha-1,5-dien-8-ol | p-Mentha-1, 5-dien-8-ol | C10H16O | 152.23 g/mol | CC1=CCC(C=C1)C(C)(C)O |
| TCMBANKIN027675 | PGR | 4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol | C3H8O2 | 76.09 | CC(CO)O |
| TCMBANKIN027676 | [(1S)-3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate | (1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [(1S)-3-[(E)-but-2-enyl]-4-keto-2-methyl-1-cyclopent-2-enyl] ester; [(1S)-3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate; (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-3-[(E)-but-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester | C20H28O3 | 316.43 | |
| TCMBANKIN027893 | carthamone | LMPK12120410 | C15H10O6 | 286.24 | C1=CC(=CC=C1C=CC(=O)C2=C(C(=O)C(=O)C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN028334 | sagittariol | (2R)-1-[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-2-methylbut-3-en-2-ol; AC1NT04X | C20H34O2 | 306.5 g/mol | CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC=C2CO)C |
| TCMBANKIN028432 | 5一hydroxygeranyllinalol | ||||
| TCMBANKIN028711 | dehydroshikimicacid | dehydroshikimic acid; AC1NE398; 3,4-dihydroxy-5-oxocyclohexene-1-carboxylic acid | C7H8O5 | C1C(=CC(C(C1=O)O)O)C(=O)O | |
| TCMBANKIN029706 | Sexangularetin | AK554337; 8-methoxykaempferol; ZINC5998554; SCHEMBL1608916; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromone; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one; LMPK12113150; AC1NQYX4; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one; BG01606211; 571-74-4; AKOS030530369; DTXSID00205715; 3,5,7,4'-tetrahydroxy-8-methoxyflavone; Herbacetin 8-methyl ether; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-chromenone; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromen-4-one; MolPort-039-338-723; CHEBI:9131; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-chromen-4-one; C10185; 8-Methylherbacetin; CTK1H0773; sexangularetin | C16H12O7 | 316.26 | COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O |
| TCMBANKIN029758 | Isovaleroxy-hydroxy dihydrovaltrate | isovaleroxy-hydroxy dihydrovaltrate; [1-acetyloxy-4a-hydroxy-6-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate; AC1NSX6L | C27H40O11 | 540.67 | CC(C)CC(=O)OC1CC2(C(C13CO3)C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)C)O |
| TCMBANKIN030358 | Gingerenone A | CHEMBL1086746; CHEBI:5352; Y7369; RP07048; 1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; BG01645411; 1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; (4E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; ZINC1531844; 128700-97-0; AC1NQZ22; (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; (E)-Gingerenone A; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one, 9CI; 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (4E)-; gingerenone a; SCHEMBL4740686; 4-Hepten-3-one,1,7-bis(4-hydroxy-3-methoxyphenyl)-,(4E)-; 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E)-; (E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one; C10460; AKOS028112802; FWDXZNKYDTXGOT-GQCTYLIASA-N | C21H24O5 | 356.41 | COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC)O |
| TCMBANKIN030414 | 2-Heptanol,3-methyl | C8H18O | 130.23 g/mol | CCCCC(C)C(C)O | |
| TCMBANKIN031225 | guaiene | beta-guaiene; β-guaiene | C15H24 | 204.35 | CC1CCC(=C(C)C)CC2=C1CCC2C |
| TCMBANKIN031504 | ZINC04081584 | (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one | C20H30O2 | 302.45 | |
| TCMBANKIN033297 | (2S)-2-methylpentanal | (2S)-2-methylvaleraldehyde; ZINC02015539 | C6H12O | 100.16 | CCCC(C)C=O |
| TCMBANKIN034190 | clinodiside a | C48H78O19 | 959.1 g/mol | CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CC(C5C4(CCC(C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)(C)CO)C)C)O)CO)C | |
| TCMBANKIN035526 | ()-beta-Citronellene | (S)-()-3,7-Dimethyl-1,6-octadiene; 27475_FLUKA; (3S)-3,7-dimethylocta-1,6-diene | C10H18 | 138.25 | CC(CCC=C(C)C)C=C |
| TCMBANKIN035584 | [(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propyl] (9Z,12Z)-octadeca-9,12-dienoate | (9Z,12Z)-octadeca-9,12-dienoic acid [(2S)-2-hydroxy-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]propyl] ester; [(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate; [(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-propyl] (9Z,12Z)-octadeca-9,12-dienoate; (9Z,12Z)-octadeca-9,12-dienoic acid [(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propyl] ester | C33H58O14 | 678.81 | |
| TCMBANKIN036274 | bisabolene | Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-; Bisabolene; 495-62-5; Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (Z)-; 4-(1,5-Dimethyl-4-hexenylidene)-1-methylcyclohexene; UNII-E452K502K0; 2-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (Z)-; 6-Methyl-2-(4-methylcyclohex-3-enyl)hept-1,5-diene; 2-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)- (7CI,8CI); Bisabolene (6CI); 2-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-; (1Z)-bisabola-1(10),4,7(11)-triene; 2-methyl-6-(4-methylcyclohex-3-enylidene)hept-2-ene; (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene; 1-Methyl-4-(1,5-dimethyl-4-hexenylidene)-1-cyclohexene; gamma-Bisabolen; (Z)-gamma-bisabolene; I14-60981; 1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene; Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (4Z)-; (Z)-.gamma.-Bisabolene; gamma-Bisabolene, (Z)-; FEMA No. 3331; LS-2584; LMPR0103060004; ST098717; EINECS 207-805-8; CHEBI:49238; bisabola-1(10),4,7(11)-triene; E452K502K0; Bisabolene (natural); 2-Methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-2-heptene; (1Z)-bisabola-1(10),4,7(11)-triene (4Z)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene; gamma-Bisabolene; XBGUIVFBMBVUEG-CCEZHUSRSA-N; ZINC30731544; Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-, (4Z)-; (Z) gamma-bisabolene; C16814; (4Z)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene; AKOS024287123; UNII-E6941S3U3Q component XBGUIVFBMBVUEG-CCEZHUSRSA-N; 11003-31-9; Limene; cis-gamma-Bisabolene; 13062-00-5; CHEBI:49237; (Z)-1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene; ST50407046; 4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene; AC1MHWGM; gamma-Bisabolene, (4Z)- | C15H24 | 204.35 g/mol | CC1=CCC(=C(C)CCC=C(C)C)CC1 |
| TCMBANKIN036297 | 6-Hydroxykynurenate | 2-Quinolinecarboxylic acid, 4,6-dihydroxy-; 3778-29-8; C05663; 6-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid; C08480; 6-Hydroxykynurenic acid; 6-hydroxy-4-keto-1H-quinoline-2-carboxylic acid; Quinaldic acid, 4,6-dihydroxy- | C10H7NO4 | 205.17 | C1=CC2=C(C=C1O)C(=O)C=C(N2)C(=O)O |
| TCMBANKIN036312 | 20-Hexadecanoylingenol | 20-hexadecanoylingenol | C36H58O6 | 586.94 | CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
| TCMBANKIN036384 | [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] acetate | [(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate; 20777-36-0; 50539-17-8; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2R,5R)-rel-; acetic acid [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester; [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate; acetic acid [(1R,2R,5R)-2-isopropyl-5-methylcyclohexyl] ester | C12H22O2 | 198.3 | CC1CCC(C(C1)OC(=O)C)C(C)C |
| TCMBANKIN036874 | Ginkgetin | 481G469; Amentoflavone 7,4'-dimethyl ether; BG01788374; ZINC1531664; 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-4-chromenone; ginkgetin; SC-15804; FT-0686623; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-; AN-45198; Spectrum4_001610; SCHEMBL888410; 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-chromen-4-one; BSPBio_003374; 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-4H-chromen-4-one; I07-0249; BDBM50323199; 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one; Spectrum3_001727; HY-N0889; AIDS-210280; Spectrum_001932; Q-100523; 481-46-9; KBioSS_002476; 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-2-(4-hydroxyphenyl)chromen-4-one; AIFCFBUSLAEIBR-UHFFFAOYSA-N; DTXSID70197416; Y0086; C10048; KBio2_007605; 3''',8-Biflavone, 4',5,5'',7-tetrahydroxy-4''',7''-dimethoxy-; 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-; MolPort-020-005-958; Ginkgetin 7''-O-beta-D-glucopyranoside; Spectrum5_000339; CHEMBL377324; KBioGR_001959; KBio2_002469; KBio2_005037; AK546723; 4''',5,5'',7''-tetrahydroxy-4',7-dimethoxy-(3'->8'')-biflavone; Spectrum2_000054; LMPK12040003; 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-; 5,7-dihydroxy-8-[5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)-2-methoxy-phenyl]-2-(4-hydroxyphenyl)chromone; AIDS210280; SPBio_000207; CS-3727; BRD-K92123432-237-02-8; 7,4'-Dimethylamentoflavone; AKOS015896770; CHEBI:5353; AC1NRS0B; KBio3_002594 | 566.51 | ||
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN037308 | β-Eudesmol | 2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-; SCHEMBL12633040; beta-eudesmol; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propan-2-ol; 17790_FLUKA; 2-Naphthalenemethanol, decahydro-8-methylene-alpha,alpha,4a-trimethyl-, (2R-(2-alpha,4a-alpha,8a-beta)-; 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; 3beta-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyldecahydronaphthalene; Beta- Eudesmol; (2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol; β- eudesmol; Eudesm-4(14)-en-11-ol (8CI); beta-Selinenol; rel-2-[(2R,4aR,8aS)-4a-methyl-8-methylenedecahydronaphthalen-2-yl]propan-2-ol; 2-naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-; C09664; InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s; beta-eudesmol ; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-2-decalinyl]propan-2-ol; AC1NSVC6; 2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; beta-Eudesmol; beta- eudesmol; 473-15-4; 4(15)-eudesmen-11-ol | 222.37 | ||
| TCMBANKIN037504 | β-Bisabolene | (1S)-bisabola-4,7(11),10(15)-triene; (-)-beta-bisabolene; beta-Bisabolene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; LMPR0103060013; beta-bisabolene ; β-Bisabolene; UNII-S19BRC22QA; (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; S19BRC22QA; XZRVRYFILCSYSP-OAHLLOKOSA-N; InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H; CHEBI:49263; C19751; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; (4R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene; cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-; FT-0622892; (-)-.beta.-bisabolene; .beta.-Bisabolene; 495-61-4; β- bisabolene; (+,-)-.beta.-Bisabolene; (-)-b-bisabolene,b-bisabolene,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)cyclohexene; l-beta-Bisabolene; l-.beta.-Bisabolene; (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene; beta-bisabolene; (S)-beta-bisabolene; (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; CHEMBL1077088; C16775; ZINC1846611; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)- | 204.35 g/mol | ||
| TCMBANKIN037541 | alpha-Cubebene | α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647 | C15H24 | 204.351 | C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN038446 | (E,Z)-1,3,5-Tridecatriene-7,9,11-triyne | AC1NS2VD; (3E,5Z)-trideca-1,3,5-trien-7,9,11-triyne; AJWRNFIZKHPOHC-STRRHFTISA-N; (E,Z)-1,3,5-Tridecatriene-7,9,11-triyne | 166.22 g/mol | ||
| TCMBANKIN039437 | hexahydrocurcumin | HY-N0929; AKOS028109862; CHEMBL479650; (RS)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-heptanone; CS-4377; CHEBI:81358; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptan-3-one; NP-003852; MEGxp0_001211; DTXSID00415731; AC1NSWAP; Hexahydrocurcumin; SCHEMBL290121; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-heptanol-3-one; 9555AF; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one; (hexahydrocurcumin); Hexahydrocurcumin, analytical standard; 3-Heptanone, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-; C17826; MolPort-001-741-439; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxylphenyl)-3-heptanone | C21H26O6 | 374.428 | c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])c([H])c([H])c1O[H] |
| TCMBANKIN040054 | Cynanuriculoside A | cynanuriculoside a | C55H88O21 | 1085.43 | [C@@]1([H])(O[C@@]2([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]3([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]4([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@ ]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@@]([H])(C([H])([H])[H])O4)[C@@]([H])(C([H])([H])[H])O3)[C@@]([H])(C([H])([H])[H])O2)C([H])([H])C([H])([H])[C@@]6(C ([H])([H])[H])C(=C([H])C([H])([H])[C@]7(O[H])[C@]6([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([C@@]([H])(O[H])C([H])([H])C8([H])[H])(C([H])([ H])C(=O)C([H])([H])[H])[C@@]78O[H])C1([H])[H] |
| TCMBANKIN040649 | 8-Gingerol | (S)-(+)-[8]-Gingerol; 8-gingerol; Gingerol; SCHEMBL4883453; BCIWKKMTBRYQJU-UHFFFAOYSA-N; 1-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-3-dodecanone; 77398-92-6; 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dodecan-3-one; (S)-8-Gingerol; 8-gingerol ; CTK2G0224; AC1NQNFG; 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one; CG0023; 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-; DTXSID10414992; (S)-[8]-Gingerol | C43H32O20 | 868.7 | CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
| TCMBANKIN040998 | cartormin | C27H29NO13 | 575.5 g/mol | C1C(C(C(O1)C2=CC3=C(N2)C(C(=O)C(=C3O)C(=O)C=CC4=CC=C(C=C4)O)(C5C(C(C(C(O5)CO)O)O)O)O)O)O | |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041719 | safflower yellow a | C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(C4C(C(C(C(O4)CO)O)O)O)O)OC5C3OC(C(C5O)O)CO)O)O | |||
| TCMBANKIN042277 | 12,13-Di-acetoxyl-1,4,6,11-eudesmanetetol | 12,13-di-acetoxyl-1,4,6,11-eudesmanetetol | C19H32O8 | 388.51 | C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]([H])([C@@](OC(=O)C([H])([H])[H])(C([H])([H])OC(=O)C([H])([H])[H])O[H])[C@]2([H])O[H])[C@]2(C([H])([H])[H])[C@@](O[H])(C([H] )([H])[H])C1([H])[H] |
| TCMBANKIN042583 | 3',4'-Dihydroxywogonin | Hypolaetin 8,3',4'-trimethyl ether; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one; LMPK12111401; AC1NSUS7; 5,7-dihydroxy-3',4',8-trimethoxyflavone; 5,7-Dihydroxy-8,3',4'-trimethoxyflavone; 3',4'-Dimethoxywogonin | C18H16O7 | 344.315 | c1(O[H])c([H])c(O[H])c(C(=O)C([H])=C(c2c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2[H])O3)c3c1OC([H])([H])[H] |
| TCMBANKIN042788 | Neryl propionate | 3,7-Dimethyl-1-propanoate(2Z)-2,6-Octadien-1-ol; FAS39QE02Z; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-; DB-040664; ZINC1851030; LS-2982; 3,7-Dimethyl-2,6-octadien-1-yl propionate, cis-; CJ-30572; UNII-FAS39QE02Z; cis-3,7-Dimethyl-2,6-octadien-1-yl propanoate; cis-3,7-Dimethyl-2,6-octadien-1-yl propionate; EINECS 203-345-7; (2Z)-3,7-Dimethyl-2,6-octadienyl propionate #; (Z)-3,7-Dimethyl-2,6-octadienyl propanoate; AKOS015901976; Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester; 3,7-Dimethyl-2,6-octadien-1-yl propanoate, cis-; I14-13371; 105-91-9; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; FEMA No. 2777; Propionic acid, neryl ester; Nerylpropionate; SCHEMBL1532465; (Z)-3,7-dimethyl-2,6-octadien-1-yl propanoate; 3,7-Dimethyl-2,6-octadienyl propionate, (Z)-; Neryl propionate (natural); nerylpropionate; [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate; propanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; (2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate; propionic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; 3,7-Dimethyl-propanoate(2Z)-2,6-Octadien-1-ol; neryl propionate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)-; BYCHQEILESTMQU-XFXZXTDPSA-N; 3,7-Dimethyl-propanoate(Z)-2,6-Octadien-1-ol; (Z)-3,7-Dimethyl-2,6-octadienyl propionate; 3,7-Dimethyl-propionate(Z)-2,6-Octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2Z)-; Neryl propanoate; FEMA 2777; LMFA07010976; 3,7-Dimethyl-2,6-octadienyl propanoate, (Z)-; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-; AC1NSMOC | 210.31 | ||
| TCMBANKIN043415 | 3,5-Diacetyltambulin | 428.4 g/mol | |||
| TCMBANKIN043849 | Geraniin | AKOS015965424; CHEBI:5328; AC1MHDT3; 60976-49-0; BG01794303; ST24046002; Geraniiin; .beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate)cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer; BDBM50242278; BC216245; Q-100702; ZINC169289506; [undecahydroxy(pentaoxo)[?]yl] 3,4,5-trihydroxybenzoate; AIDS-048857; AC-8425; C10230; D0C6QS; 4CN-2802; .beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereo; Geraniin; AIDS048857; CHEMBL506069; (1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-UNDECAHYDROXY-2,5,10,23,31-PENTAOXO-6,9,24,27,30,40-HEXAOXAOCTACYCLO[34.3.1.0?,(3)?.0?,(2)?.0?,(2)?.0(1)(1),(1)?.0(1)?,(2)(2).0(3)(2),(3)?]TETRACONTA-3,11(16),12,14,17(22),18,20,32,34,36-DECAEN-28-YL 3,4,5-TRIHYDROXYBENZOATE; JQQBXPCJFAKSPG-SVYIMCMUSA-N; (1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-UNDECAHYDROXY-2,5,10,23,31-PENTAOXO-6,9,24,27,30,40-HEXAOXAOCTACYCLO[34.3.1.0?,(3)?.0?,(2)?.0?,(2)?.0(1)(1),(1)?.0(1)?,(2)(2).0(3)(2),(3)?]TETRACONTA-3,11(16),12,14,17,19,21,32(37),33,35-DECAEN-28-YL 3,4,5-TRIHYDROXYBENZOATE; geraniin | C41H28O27 | 953 | [C@]12([H])[C@]3([H])[C@]([H])(OC(=O)c(c([H])c(O[H])c(O[H])c4O[H])c4c(c(O[H])c(O[H])c(O[H])c5[H])c5C(=O)OC1([H])[H])[C@@]([H])(OC(=O)c(c([H])c(O[H])c6O[H])c(c6O7)[C@@]([H])(C(C(=O)O3)=C([H])C8=O)[C@@] 7(O[H])C8(O[H])O[H])[C@]([H])(OC(=O)c9c([H])c(O[H])c(O[H])c(O[H])c9[H])O2 |
| TCMBANKIN043896 | [6]-Gingerdione (enol form) | [6]-gingerdione(enol form) | |||
| TCMBANKIN045096 | Heptaphylline | 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde; 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carboxaldehyde; heptaphylline | C18H17NO2 | 279.3 g/mol | CC(=CCC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)C |
| TCMBANKIN045275 | Hptaphylline | C18H17NO2 | 279.333 | O=C([H])c1c([H])c2c(n([H])c(c([H])c([H])c([H])c3[H])c23)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c1O[H] | |
| TCMBANKIN045559 | Nereistoxin | 31382-EP2281812A1; 31382-EP2311817A1; Nereistoxin; 71057-75-5 (HCl); CHEBI:7521; 1631-58-9; 31382-EP2377845A1; BRN 1421129; N,N-Dimethyl-1,2-dithiolan-4-amine; ZINC967836; CHEMBL2285758; DSOOGBGKEWZRIH-UHFFFAOYSA-; 1631-52-3 (monooxalate); 31382-EP2308858A1; 5-19-08-00347 (Beilstein Handbook Reference); I14-45026; 31382-EP2274983A1; C11474; DTXSID0075104; InChI=1/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3; AC1L25TR; N,N-dimethyldithiolan-4-amine; AKOS006277671; 1,2-DITHIOLAN-4-AMINE, N,N-DIMETHYL-; SCHEMBL10646903; 31382-EP2311816A1; LS-63225; 31382-EP2305658A1 | 149.3 g/mol | ||
| TCMBANKIN045919 | cinerins | 360.444 | |||
| TCMBANKIN046249 | camphene | CHEMBL506889; CJ-04639; (-)-camphene; (-)-Camphene, technical grade, 75% (90% as camphene and fenchene); L-Camphene; DSSTox_RID_81702; (1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-; (1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; DSSTox_CID_26538; FCH1121419; (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 5794/4/7; C06305; (-) camphene; ZB015525; CC-00037; M5YAV509FN; UNII-G3VG94Z26E component CRPUJAZIXJMDBK-BDAKNGLRSA-N; DTXSID3046538; ZINC968230; CHEBI:89; (1S,4R)-camphene; (-)-Comphene; cam phene; DSSTox_GSID_46538; NCGC00166100-01; (-)-(1S,4R)-camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-; CAS-5794-04-7; EINECS 227-337-8; UNII-M5YAV509FN; CRPUJAZIXJMDBK-BDAKNGLRSA-N; (1S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Tox21_112314 | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C |
| TCMBANKIN046563 | [6]-Gingerdione (keto form) | [6]-gingerdione(keto form) | |||
| TCMBANKIN047167 | propanetriol-α-l-arabinofuranosyl (1→4)-β-d-glucopyranoside | propanetriol-α-l-arabinofuranosyl(1→4)-β-d-glucopyranoside | |||
| TCMBANKIN047202 | Campherenol | NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol; 4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol; campherenol; MCULE-1605960082; AC1NSTBN | C15H26O | 222.37 | CC(=CCCC1(C2CCC1(C(C2)O)C)C)C |
| TCMBANKIN047275 | carthamin | 36338-96-2; AC-20202; AKOS015965395; Carthamin | C43H42O22 | 910.78 | C1=CC(=CC=C1C=CC(=O)C2=C(C(C(=C(C2=O)C=C3C(=O)C(=C(C(C3=O)(C4C(C(C(C(O4)CO)O)O)O)O)O)C(=O)C=CC5=CC=C(C=C5)O)O)(C6C(C(C(C(O6)CO)O)O)O)O)O)O |
| TCMBANKIN047312 | 10-gingerol | AKOS027420583; 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one; AC1NQNFJ; (S)-[10]-Gingerol; AK468895; BG01639773; 107257-18-1; 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone; 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)tetradecan-3-one; 1-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-3-tetradecanone; SCHEMBL4885722; 3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)- | C21H34O4 | 350.5 g/mol | CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
| TCMBANKIN048149 | β-Sesquiphellandrene | beta-sesqui-phellandrene; b-sesquiphellandrene; beta-sesquiphellandrene; beta-Sesquiphellandrene; β- sesquiphellandrene; beta-sesquiphellandrene ; β-sesqui-phellandrene | 204.35 | ||
| TCMBANKIN048651 | 10-Gingerdione | 10-gingerdione; (Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-3-en-5-one; AC1NSVUE; SCHEMBL15570964 | C21H32O4 | 348.5 g/mol | CCCCCCCCCC(=O)C=C(CCC1=CC(=C(C=C1)O)OC)O |
| TCMBANKIN048910 | Precarthamin | 464.51 | |||
| TCMBANKIN049480 | 2-nonanol | SCHEMBL162308; FEMA 3315; NONAN-2-OL; ST2419753; 2-hydroxynonane; Methyl heptyl carbinol; FEMA No. 3315; MolPort-001-759-249; LMFA05000619; 2-NONANOL; FT-0626937; 65572-87-4; n-Nonan-2-ol; AI3-37210; NSC-9481; 2-Nonanol, >=97%; 74683-66-2; AC1L1ZFX; 628-99-9; Methylheptylcarbinol; EINECS 211-065-1; CTK1J6430; SBB008521; sec-Nonanol; KS-000015RN; AN-22051; AK126497; CHEBI:78304; 2-Nonanol (natural); Methyloctanol; Nonanol-(2); ACMC-20apgn; NGDNVOAEIVQRFH-UHFFFAOYSA-N; NSC 9481; CHEMBL454517; RTR-021649; AKOS009157271; N0334; Heptylmethylcarbinol; 2-Nonyl Alcohol; TL8004308; 1-Octanol, methyl-; ANW-34436; MCULE-5218382339; 2-Nonanol, 99%; ACMC-1BCWZ; KB-259060; Heptyl methyl carbinol; TR-021649; 1-Methyl-1-octanol; MFCD00004593; NSC9481; AC1Q77CI; I14-49247 | C9H20O | 144.25 g/mol | CCCCCCCC(C)O |
| TCMBANKIN049584 | 1-Ribityl-2,3-diketo-1,2,3,4-tetrahydro-6,7-dimethyl-quinoxaline | ||||
| TCMBANKIN049963 | Hydroxysafflor yellow A | 146087-19-6; Hydroxysafflor Yellow A; MolPort-044-724-589; AK109371; AKOS016009009; CHEMBL1172243; 78281-02-4 | 612.5 g/mol | ||
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058334 | benzene acetaldehyde | benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin | C8H8O | 120.15 g/mol | C1=CC=C(C=C1)CC=O |
| TCMBANKIN058407 | THZ | NCGC00091399-01; EINECS 202-396-2; NSC 8040; FEMA Number 3256; AIDS-019689; FEMA No. 3256; Benzosulfonazole; BOT; c1128; 128366-28-9; ZINC00019726; o-2857; Vangard BT; 4-27-00-01069 (Beilstein Handbook Reference); AIDS019689; AC-907/25014160; W325600_ALDRICH; 101338_ALDRICH; 95-16-9; NSC8040; Benzothiazol; CCRIS 7893; HSDB 2796; BENZOTHIAZOLE; 1,3-benzothiazole; CHEBI:45993; InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5; WLN: T56 BN DSJ; Usaf ek-4812; 12797_FLUKA; AI3-05742; BRN 0109468; 1-Thia-3-azaindene; 4-Benzothiazol-2-yl-2-methyl-phenylamine; MLS002702269; cid_384525; 4-Benzothiazol-2-yl-2-methyl-phenyl amine; BB 0245167; MCULE-2465361022; 4-(benzo[d]thiazol-2-yl)-2-methylbenzenamine; 2-(4'-amino-3'-methylphenyl)benzothiazole; T6913; NSC674495; LS-28095; STK027735; BAS 06856403; ZINC6701; EN300-231774; Benzothiazole, 2-(4-amino-3-methylphenyl)-; SBB007298; BB_SC-0831; MFCD00950805; CHEMBL11825; AC1L8NN0; IDBCUMFOZBUJCL-UHFFFAOYSA-N; BBL008089; MolPort-000-810-817; HMS3433D11; 4-(1,3-benzothiazol-2-yl)-2-methylaniline; ZB000649; 178804-04-1; CTK0E3411; SMR001565831; SR-01000319885; DF-203; BDBM50141278; 2-(4-amino-3-methylphenyl)benzothiazole; AKOS000108517; [4-(1,3-benzothiazol-2-yl)-2-methylphenyl]amine; NCI60_026383; NSC-674495; SR-01000319885-1; DTXSID30327656; SCHEMBL1326042; BB_SC-00831; 4-benzothiazol-2-yl-2-methylphenylamine; 4-(3H-1lambda*4*-Benzothiazol-2-yl)-2-methyl-phenylamine; ST077878; Benzenamine, 4-(2-benzothiazolyl)-2-methyl-; Benzenamine, 4-(benzothiazol-2-yl)-2-methyl-; AK619236; 4-(benzo[d]thiazol-2-yl)-2-methylaniline; CCG-35258; ZERO/005854; IMED57809015; benzothiazole | C7H5NS | 135.19 | C1=CC=C2C(=C1)N=CS2 |
| TCMBANKIN058450 | ADO | nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside | C10H13N5O4 | 267.24 g/mol | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| TCMBANKIN058534 | 6-Hydroxynaringenin | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, (2S)-; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, (S)-; 479-54-9; Flavanone, 4',5,6,7-tetrahydroxy-; (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromanone; (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one; SCHEMBL476289; LMPK12140618; Carthamidin; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Ambotz529-53-3; carthamidin | C15H12O6 | 288.25 g/mol | C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O |
| TCMBANKIN058664 | (e,z)-1,3,5-tridecatriene-7,9,11-triyne | AC1NS2VD; (3E,5Z)-trideca-1,3,5-trien-7,9,11-triyne; AJWRNFIZKHPOHC-STRRHFTISA-N; (E,Z)-1,3,5-Tridecatriene-7,9,11-triyne;7-Chloro-2,4-quinolinedicarboxylic acid;Trideca-1,3,5-triene-7,9,11-triyne; (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne; (E,E)-1,3,5-Tridecatriene-7,9,11-triyne | C13H10 | 166.22 g/mol | CC#CC#CC#CC=CC=CC=C |
| TCMBANKIN058683 | 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol | EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol | C15H26O | 222.37 | CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
| TCMBANKIN058761 | (E)ocimene | (E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene | C10H16 | 136.23 g/mol | CC(=CCC=C(C)C=C)C |
| TCMBANKIN058823 | geranial | geranialdehyde; NCGC00091550-04; Citral, mixture of cis and trans; MFCD00006997; CITRAL NATURAL; Genanial; Citral (natural); A829835; RP21648; 250599-19-0; Citral; D00VWN; 3,7-dimethyl-(2e)-2,6-octadienal; NCI-C56348; AI3-28519; Q-200867; STOCK1N-24160; 433282-33-8; BRN 1721871; geranial ; EINECS 226-394-6; Lemsyn GB; NSC 6170; (2E)-3,7-dimethyl-2,6-octadien-1-al; FEMA No. 2303; 3,6-octadienal; alpha -Citral; CHEBI:23316; F0001-1403; Citral Ex Litsea(Citral ); 2,6-Octadienal, 3,7-dimethyl-, (2E)-; HSDB 993; ST24028249; 3,7-Dimethyl-1,2,6-octadienal; cis/trans-3,7-Dimethyl-2,6-octadienal; CHEMBL1080997; 758ZMW724E; Citral alpha; Geranaldehyde; ZINC1529208; (E)-3,7-Dimethyl-2,6-octadienal; WTEVQBCEXWBHNA-JXMROGBWSA-N; Citral, mixture of cis and trans, >=96%, FG; NSC-6170; CHEBI:137934; polyprenals; Citral, cis + trans; (E)-Neral; AN-21095; (2E)-3,7-dimethylocta-2,6-dienal; FEMA 2303; NCGC00091550-01; WLN: VH1UY1&3Y1&U1; LMPR0102010003; EINECS 205-476-5; STK802499; litsea cubeba oil terpeneless; Citral a; EC 205-476-5; 147060-73-9; AK116645; citral-b; Citral, Vetec(TM) reagent grade, 94%; (E)-Citral; RTR-037028; .alpha.-Citral; BRN 1721873; 2,6-Octadienal, 3,7-dimethyl-, (E)-; KB-234385; C01499; Z-Citral; AKOS000119519; 3,7-dimethylocta-2,6-dienal; BG00600714; Lemarome n; 5392-40-5; (E)-3,7-Dimethylocta-2,6-dienal; Citral, 95%; SCHEMBL23073; C15604; Citral, natural, >=96%, FCC, FG; TR-037028; 3,7-Dimethyl-trans-2,6-octadienal; LS41486; (E)-Geranial; trans-3,7-Dimethyl-2,6-octadienal; 4-01-00-03569 (Beilstein Handbook Reference); cis,trans-Citral; MolPort-001-783-112; NCGC00091550-02; UNII-758ZMW724E; EC 226-394-6; AI3-01011; ST50308094; lemonal; EPA Pesticide Chemical Code 040510; AC1LCVGF; UNII-T7EU0O9VPP component WTEVQBCEXWBHNA-JXMROGBWSA-N; NSC6170; MolPort-003-909-614; LS-97778; 37350-34-8; AN-23205; 1392408-16-0; EBD2204555; TL8003535; NCGC00091550-03; BBL011666; GERANIAL; Citral-A; InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7; FEMA Number 2303; AJ-26578; CHEBI:16980; CJ-05166; 3,7-DIMETHYL-2,6-OCTADIENAL(TRANS); CITRAL SINTETICO; AC1Q6POW; (2Z)-3,7-Dimethyl-2,6-octadienal; (2E)-3,7-dimethyl-octa-2,6-dienal; Natural Citral; beta-Geranial; trans-Citral; AC1Q1NUZ; S14-1149; geranal; Caswell No. 221B; LEMAROME; 3,7-Dimethyl-2,6-octadienal; 2,6-Dimethyloctadien-2,6-al-8; 8022-94-4; 3,7-dimethyl-(e)-2,6-octadienal; cis-3,7-Dimethyl-2,6-octadienal; SBB060834; CJ-23866; SC-26888; 141-27-5; GTPL6327; 96680-15-8; CCRIS 1043; polyprenal; 3-01-00-03053 (Beilstein Handbook Reference); (2E)-3,7-Dimethyl-2,6-octadienal; cis/trans Citral;; 3,2,6-octadienal; trans-Citral = trans-3,7-Dimethyl-octa-2,6-dien-1-al; (Z)-3,7-Dimethyl-2,6-octadienal; Citral, analytical standard; 3,7- dimethylocta-2,6-dienal; alpha-Citral;(e)-citral;(E)-3,7- dimethyl-2,6-octadienal;citral a | C10H16O | 152.23 g/mol | CC(=CCCC(=CC=O)C)C |
| TCMBANKIN058830 | (Z)-β-farnesene | (z)-beta-farnesene; (Z)-β-Farnesene; (6Z)-7,11-dimethyl-3-methylene-1,6,10-dodecatriene; (6Z)-7,11-dimethyl-3-methylidene-dodeca-1,6,10-triene; beta-cis-farnesene; (Z)-beta-farnesene; (6Z)-7,11-dimethyl-3-methylene-dodeca-1,6,10-triene; beta-(Z)-farnesene; cis-β-Farnesene; (Z)-.beta.-Farnesene; 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (Z)-; 28973-97-9; CHEBI:39242; (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene; (6Z)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene; cis-beta-farnesene | C15H24 | 204.35 g/mol | CC(=CCCC(=CCCC(=C)C=C)C)C |
| TCMBANKIN058844 | Nerol acetate | 3, 6-octadienyl acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; EINECS 205-459-2; Meraneine; DSSTox_CID_654; Bay pine (oyster) oil; Acetic acid geranyl; 3,7-Dimethyl-2,6-octadienyl acetate; W277304_ALDRICH; Geraniol acetate; 166243_ALDRICH; ST50306944; Jsp000549; 8022-83-1; 130396-84-8; 45896_FLUKA; NSC-72031; trans-3,7-Dimethyl-2,6-octadienyl acetate; 2, 3,7-dimethyl-, acetate,(E)-; HSDB 586; FEMA Number 2509; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; 68311-13-7; 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-; NSC2584; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; I14-1178; NSC72031; ZX-AT010684; W-108778; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; W250902_ALDRICH; AC1LU7NR; BRN 1722814; MLS002152904; 3,7-Dimethyl-2,6-octadien-1-ylacetic acid; GERANYL ACETATE; Geranyl Acetate 98; SCHEMBL56913; HMS2268G10; W250910_ALDRICH; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; 68412-04-4; 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-; acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; FEMA No. 2773; 16409-44-2; O310; NCGC00091394-02; 4-02-00-00204 (Beilstein Handbook Reference); 45897_FLUKA; Acetic acid geraniol ester; 130396-85-9; trans-Geraniol acetate; Geranyl acetate, >=97%; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; EINECS 203-341-5; acetic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; Acetic acid, geraniol ester; AKOS015837938; 3,7-dimethyl-2,6-octadien-1-yl acetate; 1,6-Octadiene, 7-methyl-3-methylene-, acetylated; Tox21_202089; beta-Geranyl Acetate; WLN: 1Y & U3YU2OV1-T; Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate); NCGC00259638-01; CCRIS 877; 141-12-8; acetic acid 3,7-dimethylocta-2,6-dienyl ester; Geranyl acetate, analytical standard; Geranyl ethanoate; MolPort-003-855-596; DSSTox_GSID_20654; CHEBI:5331; CHEMBL1369384; NERYLACETATE; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; C09861; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; GERANYL ACETATE FCC; NCGC00254482-01; Linalyl, neryl, geranyl acetates, mixture; AC1Q65TG; cis-3,7-Dimethyl-2,6-octadien-1-ol acetate; 2-02-00-00153 (Beilstein Handbook Reference); 3,7-Dimethyl-2,6-octadien-1-ol acetate; DSSTox_RID_75714; nerylacetate; CJ-24102; Acetic acid, geranyl ester; FEMA No. 2509; [(2Z)-3,7-dimethylocta-2,6-dienyl] ethanoate; 3,7-Dimethyl-2,6-octadien-1-ylacetate; ZINC01531610; DTXSID0020654; 3,7-Dimethyl-2,6-octadienyl acetate, mixture of isomers, >97.0% (sum of isomers, GC); 3,7-Dimethyloctyl acetate, tetradehydro derivative; EC 203-341-5; SCHEMBL56914; CAS-105-87-3; (2Z)-3,7-dimethyl-2,6-octadien-1-yl acetate; Tox21_300355; NCI-C54728; EINECS 240-458-0; Nerol acetate (6CI); Geranyl acetate, natural, FCC; TC-169893; 3,7-Dimethyl-2,6-octadienyl=acetate; ST5306944; 46015_FLUKA; 1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.; EINECS 269-749-0; NSC 2584; Nerol acetate; HIGQPQRQIQDZMP-DHZHZOJOSA-N; (2E)-3,7-Dimethyl-2,6-octadienyl acetate #; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-; Neryl ethanoate; trans-3,6-octadien-1-ol, acetate; I14-18212; Geranyl acetate, primary pharmaceutical reference standard; 2, 3,7-dimethyl-, acetate, (E)-; CC-35196; MFCD00015037; CHEBI:88568; 3,7-dimethylocta-2,6-dienyl ethanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-; 105-87-3; NCGC00091394-03; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; GERANYL ACETATE EXTRA; [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate; Geranyl acetate (natural); AI3-35817; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-; 3,7-dimethylocta-2,6-dien-1-yl acetate; 2, 3,7-dimethyl-, acetate, trans-; ZINC1531610; Geranyl acetate, cis-; Geranyl acetate, FCC; J-007463; Geranyl acetate; 173495_ALDRICH; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; BDBM50037025; BRN 1722815; 33843-18-4; SMR000127400; 3W81YG7P9R; NCGC00091394-01; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; 3,7-Dimethyl-2E,6-octadienyl acetate; Geranyl acetate A; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; AN-22398; OR6044; geranylacetat; NCGC00091394-04; Neryl acetate; UNII-3W81YG7P9R; CJ-05234; G0028; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; Geranyl Acetate 60; 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; Monoterpene Acetate mixture; NSC-2584; AI3-00207; trans-3,7- dimethyl-2,6-octadien-1-ol acetate; LMFA07010189; Neryl acetate (natural); 3,7-Dimethylocta-2,6-dienyl acetate; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate; [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate; LS-2979; trans-geranyl acetate;nerolacetate | C12H20O2 | 196.29 g/mol | CC(=CCCC(=CCOC(=O)C)C)C |
| TCMBANKIN058848 | geraniol acetate | 75157-67-4; (E)-3,7-dimethyl-2,6-octadien-1-yl ace tate; SCHEMBL6569468; 3,7-Dimethyl-trans-2,6-octadien-1-yl acetate; 3,7-dimethyl-2-trans,6-octadienyl acetate; LS-392; (E)-3,7-dimethyl-2,6-octadien-1-ol acetate; (1E/Z)-acetic acid 2,6-dimethylhepta-1,5-dienyl ester; geranoil acetate; geranylacetate; geranyl acetate | C11H18O2 | 182.26 g/mol | CC(=CCCC(=COC(=O)C)C)C |
| TCMBANKIN058851 | linalool | Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool | C10H18O | 154.25 g/mol | CC(=CCCC(C)(C=C)O)C |
| TCMBANKIN058991 | Fenchylacetat | Fenchylacetate; .beta.-Fenchyl acetate, exo-; fenchyl acetate; [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 | C12H20O2 | 196.29 | CC(=O)OC1C(C2CCC1(C2)C)(C)C |
| TCMBANKIN059195 | (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane | C10H16 | 136.23 g/mol | CC(C)C12CCC(=C)C1C2 |
| TCMBANKIN059207 | Epishyobunone | epishyobunone; (2R,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one; (2R,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-cyclohexan-1-one; (2R,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl-cyclohexan-1-one; (2R,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-1-cyclohexanone (2S,3S,6S)-3-ETHENYL-6-ISOPROPYL-3-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE; MolPort-035-706-214; (2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl-cyclohexan-1-one; (+)-Shyobunone; CHEMBL1814552; BG00930849; W2226; (2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one; (2S,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-1-cyclohexanone; AKOS032962114; SHYOBUNONE; CHEBI:68148; 21698-44-2; shyobunone; AC1NT0E3; (2S,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-cyclohexan-1-one; ZINC15150042;Shyobunone | C15H24O | 220.35 | CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C |
| TCMBANKIN059230 | isovalericacid | LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid | C5H10O2 | 102.13 g/mol | CC(C)CC(=O)O |
| TCMBANKIN059240 | Isovaleral | Aldehyde isovalerianique [French]; Isopentanal; beta-Methylbutanal; 2-Methylbutanal-4; C07329; 3-Methyl butyraldehyde; 3-Methylbutanal; Isovaleric aldehyde; 1-Butanal, 3-methyl-; Isopentaldehyde; W269212_ALDRICH; Isoamyl aldehyde; WLN: VH1Y1&1; 4-01-00-03291 (Beilstein Handbook Reference); 59820_FLUKA; Butanal, 3-methyl-; beta-Methylbutyraldehyde; InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H; .beta.-Methylbutanal; 3-Methylbutylaldehyde; 590-86-3; EINECS 209-691-5; 3-Methylbutyraldehyde (natural); NSC 404119; BRN 0773692; Butanal, methyl-; CCRIS 2945; NSC404119; Isoamylaldehyde; ZINC00896832; iso-C4H9CHO; W269204_ALDRICH; FEMA No. 2692; AI3-16106; HSDB 628; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutyraldehyde; 146455_ALDRICH; CHEBI:16638; 3-Methyl-1-butanal; 26140-47-6; Isovaleraldehyde; Butyraldehyde, 3-methyl-; Butanal,- methyl-; Butanal, 3- methyl-; isovaleraldehyde; 3-methyl butanal | C5H10O | 86.13 | CC(C)CC=O |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN059296 | 15alpha,20beta-dihydroxy-delta4-pregnen-3-one;15,20-dihydroxypregn-4-en-3-one;15α,20β-dihydroxy-Δ4-pregnen-3-one | C21H32O3 | 332.5 g/mol | CC(C1CC(C2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O | |
| TCMBANKIN059354 | citronellol | CHEBI:10360; 3,7 Dimethyl-6-octen-1-al; D-Dihydrogeraniol; MCULE-3946157075; (R)-Citronellol; 3,7-Dimethyl-(3R)-6-Octen-1-ol; FT-0623966; EINECS 214-250-5; AKOS028108897; FT-0772868; (+)-R-Citronellol; (+)-; (3S)-citronellol; (R)-3,7-Dimethyl-6-octen-1-ol; (+)-beta-Citronellol; (R)-beta-Citronellol; D-Citronellol; (R)-(+)-beta-Citronellol; ( inverted exclamation markA)-; (R)-(+)-beta-Citronellol, 98%; AN-20579; DB-060123; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; (+)- -Citronellol; A-Citronellol; AI3-00204; LMPR0102010008; P01OUT964K; b-citronellol; SCHEMBL21321; AC1L2RWB; 3,7-Dimethyl-6-octen-1-ol #; CJ-05233; ZINC1531601; (+)-citronellol; UNII-P01OUT964K; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; NCGC00249168-01; l-Citronellol; (R)-(+)- -Citronellol; QMVPMAAFGQKVCJ-SNVBAGLBSA-N; CITRONELLOL 70; MFCD00063215; (3R)-3,7-dimethyloct-6-en-1-ol; UNII-565OK72VNF component QMVPMAAFGQKVCJ-SNVBAGLBSA-N; (R)-3,7-Dimethyloct-6-en-1-ol; J-511419; (R)-(+)-; (R)-(+)-.beta.-Citronellol; CHEMBL1907993; (R)-(+)-beta -Citronellol; MolPort-002-535-711; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; CITRONELLOL 95; AC1Q7BSO; CIRTONELLOL 90/92; 3,7-Dimethyl-(R)-6-Octen-1-ol; FT-0623965; beta-Citronellol, (R)-; CJ-24101; (R)-3,7-dimethyl-6-octenol; C09849; (R)-(+)-Citronellol; 1117-61-9; A-Citronellol3,7-Dimethyl-6-octen-1-ol; STOCK1N-68491 CHEBI:10360; EINECS 214-250-5; (R)-3,7-Dimethyl-6-octen-1-ol; 303461_ALDRICH; (R)-()-beta-Citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; AI3-00204; β- citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; LMPR01020056; (3R)-3,7-dimethyloct-6-en-1-ol; ZINC01531601; (R)-3,7-Dimethyloct-6-en-1-ol; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; 106-22-9; C09849; (R)-(+)-Citronellol; 1117-61-9; STOCK1N-68491 C11386; (3S)-3,7-dimethyloct-6-en-1-ol; 303488_ALDRICH; LMPR01020076; LS-2078; Citronellol (ex. Java citronella oil) (natural); (-)-Citronellol; NSC 8779; CCRIS 7452; W509205_ALDRICH; 1335-43-9; EINECS 203-375-0; Citronellol (natural); (−)-beta-Citronellol; (S)-3,7-Dimethyl-6-octen-1-ol; (S)-(−)-beta-Citronellol; BRN 1721507; ZINC01532246; 7540-51-4; AI3-25080; 26489-01-0; 4-01-00-02188 (Beilstein Handbook Reference); FEMA No. 2309; 27483_FLUKA;beta-Citronellol; beta-Rhodinol; cephrol | C10H20O | 156.27 | CC(CCC=C(C)C)CCO |
| TCMBANKIN059367 | 1,2-propanediol | aliphatic alcohol; Centella sugar; PGR; (S)-(+)- 1,2-propanediol; 4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol | C3H8O2 or CH3CHOHCH2OH | 76.09 g/mol | CC(CO)O |
| TCMBANKIN059421 | (z, z)-1, 3, 11-tridecatriene-5, 7, 9-triyne | C13H10 | 166.22 g/mol | CC=CC#CC#CC#CC=CC=C | |
| TCMBANKIN059423 | (e, e, e)-1,3,5,11-tridecatetraene-7,9-diyne | C13H12 | 168.23 g/mol | CC=CC#CC#CC=CC=CC=C | |
| TCMBANKIN059512 | (-)- myrtenol | C10H16O | 152.23 g/mol | CC1(C2CC=C(C1C2)CO)C | |
| TCMBANKIN059521 | B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene | C10H16 | 136.23 g/mol | CC1(C2CCC(=C)C1C2)C | |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C | |
| TCMBANKIN059531 | eucalyptol | C10H18O | 154.25 g/mol | CC1(C2CCC(O1)(CC2)C)C | |
| TCMBANKIN059587 | inalool oxide | C10H18O2 | 170.25 g/mol | CC1(CCC(O1)C(C)(C)O)C=C | |
| TCMBANKIN059661 | (e)-8β,17-epoxylabd-12-ene-15,16-dial | C20H30O3 | CC1(CCCC2(C1CCC3(C2CC=C(CC=O)C=O)CO3)C)C | ||
| TCMBANKIN059704 | beta-citraurin | C30H40O2 | 432.64 g/mol | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C | |
| TCMBANKIN059724 | Phenol, 2-methyl-5-(1-methylethyl) | C10H14O | 150.22 g/mol | CC1=C(C=C(C=C1)C(C)C)O | |
| TCMBANKIN059746 | α-tocopherol | C29H50O2 | 430.7 g/mol | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C | |
| TCMBANKIN059905 | p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene | C10H14 | 134.22 g/mol | CC1=CC=C(C=C1)C(C)C | |
| TCMBANKIN059907 | (+)-alpha-Curcumene | C15H22 | 202.33 g/mol | CC1=CC=C(C=C1)C(C)CCC=C(C)C | |
| TCMBANKIN059914 | alpha-terpinene | C10H16 | 136.23 | CC1=CC=C(CC1)C(C)C | |
| TCMBANKIN059921 | o- Cymene | C10H14 | 134.22 g/mol | CC1=CC=CC=C1C(C)C | |
| TCMBANKIN059956 | himachalene | C15H24 | 204.35 g/mol | CC1=CC2C(=C(CCCC2(C)C)C)CC1 | |
| TCMBANKIN059970 | 1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene | C10H16 | 136.23 g/mol | CC1=CCC(=CC1)C(C)C | |
| TCMBANKIN059971 | beta-Curcumene | C10H16 | 136.23 | CC1=CCC(=CC1)C(C)CCC=C(C)C | |
| TCMBANKIN059974 | alpha-phellandrene | C10H16 | 136.23 | CC1=CCC(C=C1)C(C)C | |
| TCMBANKIN059975 | β-humulene | C15H24 | 204.35 | CC1=CCC(C=CCC(=C)CCC1)(C)C | |
| TCMBANKIN059980 | 4-methyl-1-isopropyl-3-cyclohexen-1-ol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)(C(C)C)O | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN059983 | β-bisabolene | C15H24 | 204.35 g/mol | CC1=CCC(CC1)C(=C)CCC=C(C)C | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN060009 | copaene; (-)-Alpha-Copaene; α-copaene | C15H24 | 204.35 g/mol | CC1=CCC2C3C1C2(CCC3C(C)C)C | |
| TCMBANKIN060116 | zingiberol | C15H26O | 222.37 g/mol | CC12CCCC(=C)C1CC(CC2)C(C)(C)O | |
| TCMBANKIN060128 | (-)-17-hydroxy-16beta-kauran-19-oic acid | CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)C(=O)O | |||
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060500 | deltonin | C45H72O17 | 885 g/mol | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 | |
| TCMBANKIN060690 | 5,25-stigmastadienol | C29H48O | 412.7 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C | |
| TCMBANKIN060691 | poriferast-5-en-3beta-ol;22,23-dihydrostigmasterol;gamma-sitosterol;clionasterol;beta-dihydrofucosterol | C29H50O | 414.71 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060844 | 6-Gingerdione | C17H24O4 | 292.37g/mol | CCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC | |
| TCMBANKIN060856 | gingerol;6-gingerol;[6]-gingerol | C17H26O4 | 294.39 g/mol | CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O | |
| TCMBANKIN060862 | shogaol | C17H24O3 | 276.4 g/mol | CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060905 | Ricineic acid | C18H32O2 | 280.45 | CCCCCCC=CC=CCCCCCCCC(=O)O | |
| TCMBANKIN060924 | Paradol | C17H26O3 | 278.4 g/mol | CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC | |
| TCMBANKIN060929 | (8)-Gingerol | C19H30O4 | 322.44g/mol | CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060976 | n-decane | C10H22 | 142.28g/mol | CCCCCCCCCC | |
| TCMBANKIN060978 | Mnk | C11H22O | 170.29 | CCCCCCCCCC(=O)C | |
| TCMBANKIN060979 | 1-(4-hydroxy-3-methoxyphenyl)-3,5-tetradecanedione | C21H32O4 | 348.5 g/mol | CCCCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC | |
| TCMBANKIN060987 | [10]-gingerol | C21H34O4 | 350.49 g/mol | CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O | |
| TCMBANKIN060994 | capraldehyde | C10H20O | 156.26 g/mol | CCCCCCCCCC=O | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061010 | 12-Gingerol | C23H38O4 | 378.5 g/mol | CCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061045 | PENTADECYLIC ACID | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061054 | 1-hexadecene;Cetene;hexadecylene-1 | C16H32 | 224.42 g/mol | CCCCCCCCCCCCCCC=C | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061079 | hexahydroaplotaxene | C17H34 | 238.5 g/mol | CCCCCCCCCCCCCCCC=C | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061090 | n-octadecane;Oktadekan;octadecane | C18H38 | 254.49g/mol | CCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061095 | TGL | C57H110O6 | 891.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061102 | LFA | C20H42 | 282.55 g/mol | CCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061111 | heneicosane | C21H44 | 296.57 | CCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061120 | Nonacosanediol-6,8 | C29H60O2 | 440.79 | CCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O | |
| TCMBANKIN061139 | n-nonacosane | C29H60 | 408.79 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061207 | Di-n-butyl phthalate | C16H22O4 | 278.34 g/mol | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC | |
| TCMBANKIN061629 | Gingerenone-C | (E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one; (E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one;gingerenone c | C20H22O4 | 326.39 | COC1=C(C=CC(=C1)CCC(=O)C=CCCC2=CC=C(C=C2)O)O |
| TCMBANKIN061767 | Isogingerenone-B | (E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one; isogingerenone-b; (E)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one;isogingerenone b | C22H26O6 | 386.44g/mol | COC1=CC(=CC(=C1O)OC)CCC(=O)C=CCCC2=CC(=C(C=C2)O)OC |
| TCMBANKIN061805 | myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin | 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene | C11H12O3 | 192.21 g/mol | COC1=CC(=CC2=C1OCO2)CC=C |
| TCMBANKIN061849 | 1-methoxy-4-(2-propenyl)-benzene | 4-Allylanisole;estragole;esdragol;Terragon;methylchavicol;CCRIS 1317; MolPort-000-156-967; MFCD00008653; Estragol (methylchavicol); DSSTox_CID_575; Anisole, p-allyl-; Esdragol; 1-allyl-4-methoxy-benzene; DTXSID0020575; 4-allylanisol; Methyl chavicole (estragole); p-Methoxyallylbenzene; Benzene, 1-methoxy-4-(2-propen-1-yl)-; NCGC00091434-01; chavicyl methylether; CTK7A3557; Methyl chavicole; UNII-9NIW07V3ET; Estragol; SR-01000838348; 4-06-00-03817 (Beilstein Handbook Reference); Ether, p-allylphenyl methyl; NSC 404113; Tarragon; 140-67-0; DSSTox_RID_75667; O080; Chavicol methyl ether; Benzene, 1-methoxy, 4-prop-2-enyl; AK109291; FEMA No. 2411; p-Allylphenyl methyl ether; p-allylanisole, 4-allyl-1-methoxybenzene, methyl chavicol; Chavicol, O-methyl-; NSC-404113; CHEMBL470671; CCG-214642; 4-Allylanisole, analytical standard; FEMA 2411; 1-METHOXY-4-(2-PROPENYL)BENZENE; FEMA Number 2411; EPA Pesticide Chemical Code 062150; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; HMS2268E24; SMR000112379; p-Allylanisole; SPECTRUM1505117; 1-methoxy-4-(prop-2-en-1-yl)benzene; Chavicyl methyl ether; chavicol methylether; C10452; NCI-C60946; Allylphenyl methyl ether, p-; estragon;p-allylanisole; EINECS 205-427-8; AI3-16052; Esteragol; ZINC967635; 4-Allylanisole, purum, >=97.0% (GC); CHEBI:4867; 1407-27-8; Estragole (natural); NCGC00259936-01; MLS001065575; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; AC1Q4FE9; 1-Methoxy-4-(2-propen-1-yl)-Benzene; Methylchavicol; Chavicol, methyl-; p-Allyl-Anisole; ACMC-1BW75; KB-36193; 3-(p-Methoxyphenyl)propene; 1-methoxy-4-(2-propenyl)-benzene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; AKOS000121300; p-Allylmethoxybenzene; Methyl-Chavicol; AC1L1RR7; Tox21_302930; 3-(4-Methoxyphenyl)-1-propene; ST50824126; BRN 1099454; Isoanthethole; LS-821; Esdragon; ZFMSMUAANRJZFM-UHFFFAOYSA-N; I01-10181; Estragole, analytical standard; 9NIW07V3ET; O-Methyl-Chavicol; Terragon; 4-Allyl-1-methoxybenzene; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; HSDB 5412; 4-Allylanisole, 98%; Chavicyl methyl ether; AN-17349; 1-Methoxy-4-(2-propenyl)benzene, 9CI; A0702; 4-Allylanisole; para-allylanisole; AC1Q4CFH; SCHEMBL57204; WLN: 1U2R DO1; SR-01000838348-2; FT-0617414; J-007415; NCGC00091434-02; TC-109325; CAS-140-67-0; isoanethole, 4-Allylanisole; ANW-20580; 4-Methoxyallylbenzene; Tox21_202387; Estragole; NSC404113; Esdragole; 77525-18-9; AJ-24538; DSSTox_GSID_20575; NCGC00091434-03; Para-allylanisole (estragole); ZB015470; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1-Allyl-4-methoxybenzene; NCGC00256481-01; 4-Allylanisole, >=98%, FCC; 1-Methoxy-4-(2-propen-1-yl)benzene; Isoanethole;34098_RIEDEL; 3-(p-Methoxyphenyl)propene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; 1-METHOXY-4-(2-PROPENYL)BENZENE; Anisole, p-allyl-; EPA Pesticide Chemical Code 062150; 1-allyl-4-methoxy-benzene; Esdragol; FEMA Number 2411; p-Allylmethoxybenzene; NCGC00091434-02; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; p-Methoxyallylbenzene; 4-Methoxyallylbenzene; BRN 1099454; WLN: 1U2R DO1; SPECTRUM1505117; p-Allylanisole; LS-821; Esdragon; NCGC00091434-01; Estragol; Chavicyl methyl ether; C10452; Estragole; 4-06-00-03817 (Beilstein Handbook Reference); NSC404113; Esdragole; NCI-C60946; NSC 404113; 77525-18-9; 4-Allyl-1-methoxybenzene; Tarragon; 140-67-0; Allylphenyl methyl ether, p-; HSDB 5412; EINECS 205-427-8; ZINC00967635; AI3-16052; Isoanethole; 1-methoxy-4-prop-2-enyl-benzene; A29208_ALDRICH; 05820_FLUKA; Chavicol methyl ether; 05818_FLUKA; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1407-27-8; W241105_ALDRICH; Estragole (natural); 1-Allyl-4-methoxybenzene; FEMA No. 2411; 4-Allylanisole; 1-Methoxy-4-(2-propen-1-yl)benzene; Chavicol, O-methyl-; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; Methylchavicol | C10H12O | 148.2 g/mol | COC1=CC=C(C=C1)CC=C |
植物对应的疾病
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植物对应的靶点
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