TCMBANKIN000032 |
Visnagin |
4-Methoxy-7-methyl-5H-furo(3,2-g)(1)-benzopyran-5-one; Spectrum3_001340; DivK1c_006549; EINECS 201-430-3; visnagin; KBio1_001493; SPBio_001751; KBio3_002319; KBio2_004275; 82-57-5; KBioGR_002251; 254932_ALDRICH; KBio2_006843; Desmethoxykhellin; ST5307139; Spectrum2_001796; NSC100593; 4-methoxy-7-methyl-5-pyrano[3,2-f]benzofuranone; 4-methoxy-7-methyl-pyrano[3,2-f][1]benzoxol-5-one; Visnagidin; LMPK02000029; ZINC00120179; MEGxp0_000332; 5H-Furo[3,2-g][1]benzopyran-5-one, 4-methoxy-7-methyl-; 5H-FURO(3,2-g)(1)BENZOPYRAN-5-ONE, 4-METHOXY-7-METHYL-; SDCCGMLS-0066603.P001; BSPBio_003099; 5-19-06-00030 (Beilstein Handbook Reference); Spectrum_001227; NCGC00095626-01; KBio2_001707; SpecPlus_000453; BRN 0234955; KBioSS_001707; 4-methoxy-7-methyl-pyrano[3,2-f]benzofuran-5-one; C09049; SPECTRUM310041; Spectrum5_000351; 4-methoxy-7-methyl-5H-furo [3,2-g][1]-benzopyran-5-one; Oprea1_854963; 4-methoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one; NSC 100593; Visnagine; 4-Methoxy-7-methylfuro(3,2-g)chromen-5-one; 4-Methoxy-7-methyl-5H-furo[3,2-g][1]-benzopyran-5-one; Spectrum4_001766; 5-Methoxy-2-methylfuranochromone |
C13H10O4 |
230.22 |
CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=CO3 |
TCMBANKIN000673 |
dehydroaromadendrene |
dehydro-aromadendrene ; dehydroaromadenderene |
C15H24 |
204.35 g/mol |
CC1CCC2C1C3C(C3(C)C)CC=C2C |
TCMBANKIN002946 |
Vanay |
SPBio_000878; NCGC00091612-04; D00384; KBio1_000740; 4-02-00-00253 (Beilstein Handbook Reference); FEMA No. 2007; Kodaflex triacetin; KBioGR_000823; Enzactin; FEMA Number 2007; Spectrum4_000362; Kesscoflex TRA; Spectrum3_001368; NCGC00091612-01; Triacetine [INN-French]; Spectrum5_001376; HSDB 585; SPECTRUM1500585; Glyped; Triacetina [INN-Spanish]; Glycerol triacetate; KBioSS_001361; Triacetin (1,2,3-Propanetriol triacetate); Acetin, tri-; Fungacetin; 102-76-1; IDI1_000740; KBio3_002116; propane-1,2,3-triyl triacetate; InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H; EINECS 203-051-9; Triacetin [INN]; Triacetin (USP); [2-acetoxy-1-(acetoxymethyl)ethyl] acetate; Acetic, 1,2,3-propanetriyl ester; 1,2,3-Propanetriol, triacetate; acetic acid [2-acetoxy-1-(acetoxymethyl)ethyl] ester; Triacetine; BSPBio_002896; DivK1c_000740; Spectrum2_000939; AI3-00661; BRN 1792353; 1,3-diacetyloxypropan-2-yl ethanoate; NSC 4796; Enzactin (TN); Spectrum_000881; 1,2,3-Propanetriol triacetate; Glycerin triacetate; Triacetylglycerol; NCGC00091612-02; KBio2_001361; Triacetinum [INN-Latin]; LS-2356; Glyceryl triacetate; Triacetin; KBio2_006497; KBio2_003929; NCGC00091612-03; WLN: 1VO1YOV1 & 1OV1; 1,3-diacetyloxypropan-2-yl acetate; 1,2,3-Propanetriyl triacetate; NSC4796; Triacetyl glycerine; NINDS_000740 |
C9H14O6 |
218.2 |
CC(=O)OCC(COC(=O)C)OC(=O)C |
TCMBANKIN003060 |
()-Valencene |
75056_FLUKA; (3R,4aR,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene; W344303_ALDRICH; (3R,4aR,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene; (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene |
C15H24 |
204.35 |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
TCMBANKIN003124 |
Eudesma-4,6-dien-3-one |
(4aR)-7-isopropyl-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one; Eudesma-4,6-dien-3-one (.beta.-cyperone); (4aR)-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one |
C15H22O |
218.33 g/mol |
CC1=C2C=C(CCC2(CCC1=O)C)C(C)C |
TCMBANKIN003904 |
Ammiol |
7-(hydroxymethyl)-4,9-dimethoxy-pyrano[3,2-f][1]benzoxol-5-one; 5H-Furo[3,2-g][1]benzopyran-5-one, 7-(hydroxymethyl)-4,9-dimethoxy-; 5H-Furo(3,2-g)(1)benzopyran-5-one, 7-(hydroxymethyl)-4,9-dimethoxy-; 7-(hydroxymethyl)-4,9-dimethoxypyrano[3,2-f][1]benzoxol-5-one; 4,9-dimethoxy-7-methylol-pyrano[3,2-f]benzofuran-5-one; 7-(Hydroxymethyl)-4,9-dimethoxy-5H-furo(3,2-g)(1)benzopyran-5-one; ammiol; 7-(hydroxymethyl)-4,9-dimethoxy-pyrano[3,2-f]benzofuran-5-one; 7-(hydroxymethyl)-4,9-dimethoxy-5-pyrano[3,2-f]benzofuranone; 668-10-0 |
C14H12O6 |
276.24 |
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)CO |
TCMBANKIN004033 |
()-Nootkatone |
ZINC01081321; (4R,4aS,6R)-6-isopropenyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one; 74437_FLUKA; BB_NC-1524; (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one; 93785_FLUKA |
C15H22O |
218.33 |
|
TCMBANKIN005522 |
(E)-calamenene |
(1S,4R)-4-isopropyl-1,6-dimethyltetralin; (1S,4R)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene; (1S,4R)-4-isopropyl-1,6-dimethyl-tetralin |
C15H22 |
202.34 |
CC1CCC(C2=C1C=CC(=C2)C)C(C)C |
TCMBANKIN007002 |
(1S,3aS,4S,7R,8aS)-7-isopropenyl-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol |
(1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol |
|
238.41 |
|
TCMBANKIN008255 |
gamma-Calacorene |
gamma-calacorene |
C15H20 |
200.32 g/mol |
CC1CC=C(C2=C1C=CC(=C2)C)C(C)C |
TCMBANKIN009147 |
sugeonol |
|
C15H22O2 |
234.33 g/mol |
CC1CCC2C(C3=C(C(=O)CC13C2(C)C)C)O |
TCMBANKIN010455 |
prunellin |
|
|
|
|
TCMBANKIN011109 |
nootkatene |
|
C15H22 |
202.34 |
CC1CC=CC2=CCC(CC12C)C(=C)C |
TCMBANKIN011467 |
isodalbergin |
ZINC13339734; 7-hydroxy-6-methoxy-4-phenylchromen-2-one; AC1NSWZQ; 7-hydroxy-6-methoxy-4-phenyl-coumarin; 7-Hydroxy-6-methoxy-4-phenylcoumarin; Isodalbergin; 7-hydroxy-6-methoxy-4-phenyl-2-chromenone; LMPK12100007; 7-hydroxy-6-methoxy-4-phenyl-chromen-2-one; 605-09-4 |
C16H12O4 |
268.26 g/mol |
COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)O |
TCMBANKIN011828 |
mustakone |
|
C15H22O |
218.33 g/mol |
CC1=CC(=O)C2C3C1C2(CCC3C(C)C)C |
TCMBANKIN012627 |
(1R,5S)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde |
BB_NC-0154; ZINC00968030; (1R,5S)-7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde |
C10H14O |
150.22 |
|
TCMBANKIN013005 |
(1S,3R,5S)-6,6-dimethyl-2-methylene-3-norpinanol |
SMP2_000270; (1S,3R,5S)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol; (1S,3R,5S)-6,6-dimethyl-2-methylene-norpinan-3-ol; STOCK1N-51374; (1S,3R,5S)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol; ZINC00968034 |
C10H16O |
152.23 |
CC1(C2CC1C(=C)C(C2)O)C |
TCMBANKIN013738 |
khellol glucoside |
|
C19H20O10 |
408.4 g/mol |
COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O |
TCMBANKIN013787 |
beta-muurolene |
β-Muurolene |
C15H24 |
204.35 g/mol |
CC1=CCC2C(C1)C(CC=C2C)C(C)C |
TCMBANKIN015543 |
linalyl acetate |
3ID3M89AV9; [(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate; (s)-linalyl acetate; Linalyl acetate, (+)-; CHEBI:78335; (+)-1,5-Dimethyl-1-vinylhex-4-enyl acetate; 51685-40-6; AC1OE5T3; UNII-3ID3M89AV9; linalyl acetate ; CJ-07639; CJ-32467; SCHEMBL15745424; AJ-33267; Coriandrol acetate; EINECS 257-347-8; ZINC2041035; (+)-linalyl acetate; (3S)-3,7-dimethylocta-1,6-dien-3-yl acetate; UNII-5K47SSQ51G component UWKAYLJWKGQEPM-GFCCVEGCSA-N |
C12H20O2 |
196.29 |
CC(=CCCC(C)(C=C)OC(=O)C)C |
TCMBANKIN015567 |
(1R,3aR,4R,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene |
(1R,3aR,4R,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene |
C15H24 |
204.35 |
|
TCMBANKIN016644 |
stigmasterol glucoside_qt |
|
C35H58O6 |
574.83 |
|
TCMBANKIN017552 |
rhamnetin-3-o-rhamnosyl(1→4)-rhamnopyranoside |
|
|
|
|
TCMBANKIN018583 |
Khellol |
7-(hydroxymethyl)-4-methoxy-pyrano[3,2-f]benzofuran-5-one; 7-(hydroxymethyl)-4-methoxypyrano[3,2-f][1]benzoxol-5-one; Chellol; 5H-Furo(3,2-g)(1)benzopyran-5-one, 7-(hydroxymethyl)-4-methoxy-; 478-79-5; khellol; 7-(hydroxymethyl)-4-methoxy-5-pyrano[3,2-f]benzofuranone; 7-(Hydroxymethyl)-4-methoxy-5H-furo(3,2-g)(1)benzopyran-5-one; 4-methoxy-7-methylol-pyrano[3,2-f]benzofuran-5-one; 5H-Furo[3,2-g][1]benzopyran-5-one, 7-(hydroxymethyl)-4-methoxy-; 7-(hydroxymethyl)-4-methoxy-pyrano[3,2-f][1]benzoxol-5-one |
C13H10O5 |
246.22 |
COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)CO |
TCMBANKIN019176 |
methyl maslinate |
SCHEMBL17124294 |
C31H50O4 |
486.73 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)OC)C |
TCMBANKIN020124 |
(?)-norrotundene |
|
C14H22 |
190.32 g/mol |
CC1CCC2C1CC3CCC2(C=C3)C |
TCMBANKIN023053 |
4,5-secoeudesmane |
|
|
210.45 |
|
TCMBANKIN030144 |
ledane |
Ledane |
C15H26 |
206.37 |
CC1CCC2C(C2(C)C)C3C1CCC3C |
TCMBANKIN030839 |
Rouhuoside |
rouhuoside |
|
824.86 |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O |
TCMBANKIN030882 |
rotundenol |
|
C15H24O |
220.35 |
CC1CCC2C1CC3CCC2(C(C3=C)O)C |
TCMBANKIN031225 |
guaiene |
beta-guaiene; β-guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
TCMBANKIN031712 |
methyl-2alpha-hydroxyursoate |
|
|
|
|
TCMBANKIN032028 |
sugeonyl acetate |
|
C17H24O3 |
276.4 g/mol |
CC1CCC2C(C3=C(C(=O)CC13C2(C)C)C)OC(=O)C |
TCMBANKIN034827 |
(4aS,6R,8aS)-4a-hydroxy-6-isopropenyl-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one |
(4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one |
|
234.37 |
|
TCMBANKIN034891 |
GLO |
Glucose (C-14); maltodextrin; 815-92-9; (C13)D-Glucose; D-(U-14C)Glucose; Glucose (C-13); aldehydo-D-gluco-hexose; CHEBI:42758; EINECS 224-118-9; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal; D-GLUCOSE IN LINEAR FORM; ZINC02043211; 28823-03-2; 9050-36-6; D-Glucose, labeled with carbon-14; aldehydo-D-glucose; D-Glucose, labeled with carbon-13; (U-14C)Glucose; D-Glucose, labeled with tritium; (14C)-Glucose; 19030-38-7; (14C)D-Glucose |
C6H12O6 |
192.11 g/mol |
C(C(C(C(C(C=O)O)O)O)O)O |
TCMBANKIN035147 |
(?)-cypera-2,4(15)-diene |
|
C15H22 |
|
CC1CCC2CC3C1(C2(C)C)C=CC3=C |
TCMBANKIN035368 |
(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde |
ZINC00968031; InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H; (1S,5R)-7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde; ST5308423 |
C10H16O |
152.23 |
|
TCMBANKIN036177 |
(4aR,7R)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
(4aR,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
C15H22O |
218.33 |
|
TCMBANKIN036551 |
3-O-(2-rhamnosylglucosyl) oleanolic acid |
|
|
765.1 |
|
TCMBANKIN036814 |
β-Amyrin |
SCHEMBL14226156; beta-Amyrine; β- amyrin; beta-amyrin ; beta-amyrin; 12-oleanex-3beta-ol; NSC-527971 |
|
426.72 |
|
TCMBANKIN036829 |
ursolic acid |
ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 |
C30H48O3 |
456.7 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
TCMBANKIN036840 |
protocatechuic acid |
3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 |
C18H14O8 |
358.299 |
c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
TCMBANKIN036881 |
delphinidin |
delphinidin ; delfinidin; delphinidin-3-glu-coside_qt; Anthocyanin; Delphinidin-3-monoglucoside_qt; 3-O-β-(6-O-malonyl)-D-glucopyranoside_qt |
C15H11O7+ |
303.24 g/mol |
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O |
TCMBANKIN037277 |
Oleanolic acid |
Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid |
C30H48O3 |
457 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C(
[H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
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] |
TCMBANKIN037619 |
Cyperolone |
SCHEMBL19419895; AC1NSU4M; 1-[(3S,3aR,5R,7aS)-3-hydroxy-5-isopropenyl-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone; CHEBI:80814; cyperolone; DTXSID90415700; 1-[(3S,3aR,5R,7aS)-3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone; C16946; 13741-46-3 |
|
236.35 |
|
TCMBANKIN037974 |
beta-cyperone |
β-cyperone |
C15H22O |
218.33 g/mol |
CC1=C2C=C(CCC2(CCC1=O)C)C(C)C |
TCMBANKIN039034 |
methyl betulinate |
NSC-152532; 2259-06-5; methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate; NSC 152532; EINECS 218-857-6; Methyl betulinate; Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3beta)-; Methyl 3-hydroxylup-20(29)-en-28-oate #; AIDS014854; AIDS-014854; Lup-20(29)-en-28-oic acid, methyl ester; Methyl betulate; Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)-; methylbetulinate; Lup-20(29)-en-28-oic acid, methyl ester, (3.beta.)-; XNZIMRUZBOZIBC-UHFFFAOYSA-N; Lup-20(29)-en-28-oic acid, 3.beta.-hydroxy-, methyl ester; NSC152532; 28-O-Methylbetulinic Acid; AC1L9NI6 |
C31H50O3 |
470.7 g/mol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC |
TCMBANKIN039085 |
copadiene |
8-ISOPROPYL-1-METHYL-5-METHYLIDENETRICYCLO[4.4.0.0(2),?]DEC-3-ENE; 27597-38-2; (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene; 1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0;{2,7}]dec-3-ene; 2,4(15)-Copadiene |
C15H22 |
202.33 g/mol |
CC(C)C1CCC2(C3C1C2C(=C)C=C3)C |
TCMBANKIN039868 |
isocurcumenol |
isocurcum enol; LS-64023; MolPort-039-338-608; ZINC15160861; 24063-71-6; Isocurcumenol |
C15H22O2 |
234.334 |
[C@@]1([H])(C(=C([H])[H])C2([H])[H])[C@@]3([C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])O[C@]2(O[H])\C(=C(\C([H])([H])[H])/C([H])([H])[H])\C3([H])[H] |
TCMBANKIN040571 |
4,7-dimethyl-1-tetralone |
|
C12H14O |
174.24 g/mol |
CC1CCC(=O)C2=C1C=CC(=C2)C |
TCMBANKIN040757 |
cyperotundone |
|
C15H22O |
218.335 |
C1(=O)C([H])([H])[C@@]2(C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C3([H])[H])C3=C1C([H])([H])[H] |
TCMBANKIN040831 |
tricin |
NSC294579; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; AIDS-120640; 3',5'-O-dimethyltricetin; CHEBI:60016; 3',5'-di-O-methyltricetin(1-); 5,7,4-trihydroxy-3, 5-dimethoxyflavone; 3',5'-di-O-methyltricetin; 520-32-1; Tricetin 3',5'-di-methyl ether; Tricin; C10193; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; AIDS120640; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; NSC 294579; 4',5,7-trihydroxy-3',5'-dimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-olate |
C17H14O7 |
330.289 |
c1(O[H])c(OC([H])([H])[H])c([H])c(C2=C([H])C(=O)c3c(c([H])c(O[H])c([H])c3O[H])O2)c([H])c1OC([H])([H])[H] |
TCMBANKIN041007 |
Rosenonolactone |
|
|
316.43 |
|
TCMBANKIN041320 |
cyperene |
Cyperene; 2387-78-2; (-)-cyperene; LMPR0103450002; α-cyperene; 3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, (3aR-(3aalpha,4beta,7alpha))- |
C15H24 |
204.351 |
C1([H])([H])C([H])([H])C(C([H])([H])[H])=C2[C@@]13C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C2([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])[H] |
TCMBANKIN041775 |
4α,5α-oxidoeudesm-11-en-3α-ol |
|
|
|
|
TCMBANKIN042392 |
alpha-cyperone |
α-cyperone; CHEBI:80919 |
C16H24 |
216.362 |
C1([H])([H])C(=C([H])[H])C(C([H])([H])[H])=C2[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])=C([H])[H])C2([H])[H])C1([H])[H] |
TCMBANKIN042726 |
Isokobusone |
(1S,5R,9R)-5-hydroxy-11,11-dimethyl-4-methylidenebicyclo[7.2.0]undecan-8-one; AC1OF35U |
|
222.32 g/mol |
|
TCMBANKIN042858 |
Luteolin |
Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone |
C15H10O6 |
286.236 |
c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
TCMBANKIN043081 |
Isocyperol |
CZFHAODYOVXPIQ-FFHGMXDLSA-N; CHEMBL489542; Isocyperol |
|
220.35 g/mol |
|
TCMBANKIN044201 |
rotundene |
|
C15H24 |
204.35 |
CC1CCC2C1CC3CCC2(C=C3C)C |
TCMBANKIN044727 |
salicylic acid |
3320-EP2298732A1; D00097; CCRIS 6714; 3320-EP2287148A2; 3320-EP2298735A1; o-Hydroxybenzoate anion; Trans-Ver-Sal; Verrugon; CHEBI:30762; STK258681; 2y7w; salicylate; BBL000698; 3320-EP2305260A1; 3320-EP2311796A1; K 537; Keralyt; AC1L1JPL; Salicylate anion; 3320-EP2301534A1; Orthohydroxybenzoic acid; 3320-EP2292595A1; o-hydroxybenzoic acid; Salicylate ion; 3320-EP2298777A2; ACS No 10; Ionil; 3320-EP2289871A1; Salicylic acid [USAN:JAN]; 3320-EP2298748A2; SMR000059163; AC1Q5BFS; o-Carboxyphenol; NCGC00178624-02; 3320-EP2269991A2; 25496-36-0; 3320-EP2292614A1; 3320-EP2311451A1; Salicylic acid; YGSDEFSMJLZEOE-UHFFFAOYSA-M; 3320-EP2284179A2; Benzoic acid, 2-hydroxy-; 3320-EP2287150A2; MLS000069653; 3320-EP2301912A2; CHEBI:16914; Ionil-Plus; Salicylic acid & Sulfur Soap; 3320-EP2305637A2; 3320-EP2298743A1; 3320-EP2284151A2; 54-21-7 (SODIUM SALT); AB00053542_03; Salicylic acid collodion; Kyselina 2-hydroxybenzoova [Czech]; Salicylic acid (6CI,8CI); AIDS-006789; 3320-EP2295416A2; KBio2_003996; 2-hydroxy-benzoate; Dr. Scholl's Corn Removers; 3320-EP2284152A2; Advanced Pain Relief Corn Removers; 3320-EP2284156A2; NCGC00159447-02; 3320-EP2316835A1; 3320-EP2295413A1; 3320-EP2308863A1; 3320-EP2292593A2; 3320-EP2305671A1; AIDS006789; Duofil Wart Remover; 2-Hydroxybenzoic acid; 3gf2; InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10; 3320-EP2269985A2; C00805; 3twp; 3320-EP2311798A1; 3320-EP2275420A1; hydroxybenzoate; WLN: QVR BQ; Salonil; S7401_SIGMA; NSC 180; Salicylic acid (JP15/USP); 3320-EP2301927A1; 3198-EP2289876A1; 3320-EP2316470A2; NCGC00178624-03; Saligel; 2-HYDROXYPHENYLFORMATE; salicylicacid; CPD-110; 3320-EP2284150A2; Spectrum_000948; EPA Pesticide Chemical Code 076602; 3320-EP2284164A2; 3320-EP2295550A2; SMP2_000145; Acidum salicylicum; CAS_54-21-7; Dr. Scholl's Callus Removers; Stri-Dex; ZB000360; SAL; o-Hydroxybenzoate; 3320-EP2280008A2; Clear away Wart Remover; 3320-EP2295432A1; S8519_SIGMA; CTK5I4917; CJ-00055; Salicylic acid, tech.; Salicylic acid soap; 3320-EP2269978A2; 2-Hydroxybenzoate (Na+); Benzoic acid, 2-hydroxy-, ion(1-); SGCUT00012; Duoplant; Freezone; 3320-EP2284155A2; Occlusal; 3320-EP2284178A2; 3320-EP2301914A1; 3320-EP2311825A1; MFCD00984876; Psoriacid-S-Stift; 3320-EP2301913A1; Rutranex; IDI1_000301; 3320-EP2314578A1; 2-Hydroxybenzenecarboxylic acid; 3320-EP2298765A1; 3320-EP2308832A1; MolPort-003-710-545; 8052-31-1; o-Hydrobenzoate; Retarder W; Salicylic acid-ring-UL-14C; 2y7k; Duofilm; o-Hydrobenzoic Acid; NSC_5900; EINECS 200-712-3; NCGC00159447-04; BDBM85513; 3320-EP2295419A2; 3320-EP2314295A1; STK372903; 63-36-5; 3320-EP2311835A1; DivK1c_000301; 2-Hydroxybenzoic acid ion(1-); 3320-EP2316450A1; 3320-EP2277875A2; Dr. Scholl's Wart Remover Kit; 105910_ALDRICH; HSDB 672; 69-72-7; 3320-EP2311842A2; 2y7p; 3320-EP2284153A2; AI3-02407; 3320-EP2272847A1; 7681-06-3; Phenol-2-carboxylic acid; AKOS005447222; 3198-EP2298777A2; Ionil Plus; KBioSS_001428; 3320-EP2301916A2; T7104; 3320-EP2284170A1; 3320-EP2298764A1; Caswell No. 731; 2-Oxylatobenzoate; 84210_FLUKA; KBio1_000301; 3320-EP2311799A1; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; to_000004; Compound w; 3320-EP2275102A1; 3320-EP2311797A1; 2-Hydroxybenzoate; Kyselina salicylova [Czech]; S5922_SIGMA; 3320-EP2287140A2; 2-Hydroxybenzoic acid anion; 3320-EP2305688A1; 3320-EP2305243A1; UPCMLD-DP126:001; 3320-EP2295412A1; 27301_SIAL; Salicylic acid, ion(1-); 3320-EP2292590A2; 3320-EP2277876A1; W398500_ALDRICH; Oprea1_040343; KBio2_006564; Salicylic acid (TN); Sebucare; 2-Carboxyphenol; Benzoic acid, 2-hydroxy- (9CI); Acido salicilico [Italian]; KBio2_001428; Acido o-idrossibenzoico [Italian]; Advanced Pain Relief Callus Removers; LS-144344; NINDS_000301; 2-hydroxybenzoic acid; 247588_SIAL; 2-CARBOXYBENZENOLATE; 3198-EP2314295A1; NSC180; Domerine; Sebulex; BRN 0774890; CMC_13852 |
C7H6O3 |
138.12 |
C1=CC=C(C(=C1)C(=O)O)[O-] |
TCMBANKIN045173 |
epi-alpha-selinene |
|
C15H24 |
204.351 |
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C2([H])[H])[C@@]2([H])C(C([H])([H])[H])=C1[H] |
TCMBANKIN045190 |
Cyprotene |
|
|
192.34 g/mol |
|
TCMBANKIN045321 |
3α-Hydroxy-11-oxo-labda-8(17),13(16),14-triene |
|
|
|
|
TCMBANKIN045510 |
Koelreuteria saponin A |
koelreuteria saponin a |
C36H58O7 |
602.94 |
[C@@]1([H])(O[H])C([H])([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C3([H])[
H])[C@@]3(C(O[H])=O)C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])[C@]2(C([H])([H])[H])C([H])([H])O[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])O[H] |
TCMBANKIN045617 |
10,12-peroxycalamenene |
|
C15H20O2 |
232.32 g/mol |
CC1=CC2=C(C=C1)C3(CCC2C(OO3)(C)C)C |
TCMBANKIN046232 |
cyperenoic acid |
|
|
234.37 |
|
TCMBANKIN046514 |
Kobusone |
CHEBI:80842; Kobusone; C16983 |
|
222.32 |
|
TCMBANKIN046903 |
sugetriol |
Sugetriol; CHEBI:81138; C17502 |
C15H24O3 |
252.35 g/mol |
CC1C(CC2C(C3=C(C(CC13C2(C)C)O)C)O)O |
TCMBANKIN047178 |
Patchouleny acetate |
|
|
|
|
TCMBANKIN048156 |
cyperol |
CHEMBL2268862; APWLDLGOYJHNIK-YUELXQCFSA-N; C16945; 20084-99-5; DTXSID70555532; (2R,4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol; 3ALPHA-HYDROXY-CYPERONE; Cyperol; CHEBI:80813 |
C15H24O |
220.35 |
CC1=C2CC(CCC2(CCC1O)C)C(=C)C |
TCMBANKIN048332 |
(+)-cyperadione |
|
C15H24O2 |
|
CC1CCC2CC(=O)C1(C2(C)C)CCC(=O)C |
TCMBANKIN048948 |
Patchoulenone |
|
|
218.33 |
|
TCMBANKIN049113 |
1,4-Epoxy-16-hydroxyheneicos-1,3,12,14,18-pentaene |
1,4-epoxy-16-hydroxyheneicos-1,3,12,14,18-pentaene |
|
316.53 |
CCC=CCC(C=CC=CCCCCCCCC1=CC=CO1)O |
TCMBANKIN049200 |
Dimethyl tetrasulfide |
85931-55-1; Tetrasulfide, dimethyl; 5756-24-1; methyldisulfanyldisulfanylmethane; EINECS 227-278-8; Dimethyl tetrasulphide; dimethyl tetrasulfide |
C2H6S4 |
158.33 |
CSSSSC |
TCMBANKIN049727 |
Aristolone |
UGVIZCBJCSXBCJ-RQIDDHSMSA-N; Aristol-9-en-8-one #; 6831-17-0; 2H-Cyclopropa(a)naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aalpha,7alpha,7aalpha,7balpha)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a.beta.,4,5,6,7,7a,7b.beta.-octahydro-1,1,7.beta.,7a.beta.-tetramethyl-; aristolone; AC1O5EP0; (7R,7aR)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one |
C15H22O |
218.33 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
TCMBANKIN049753 |
sugebiol |
|
C15H24O2 |
236.35 |
[C@@]1([H])(O[H])C([H])([H])[C@@]2(C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])[C@]3([H])O[H])C3=C1C([H])([H])[H] |
TCMBANKIN058114 |
trans-caffeic acid |
3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid |
C9H8O4 |
180.16 g/mol |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
TCMBANKIN058125 |
cyanidol |
Cyanidin-3-monogalactoside_qt; cyanidin chloride; cyanidin 3,5-di-O-glycoside_qt; cyanidolchloride; Wild groundnut red_qt; cyanidin; cyanidin 3-glucoside_qt; chrysanthemin_qt; cyanidin-3-glucoside_qt; Cyanin_qt; cyanidin-3-rutinoside_qt; Cyanidin 3-O-glucoside_qt; cyanidin ; 2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-3,5-diolate; cyanidin(1-); CHEBI:71682; cyanidin |
C15H11O6+ |
287.24 g/mol |
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O |
TCMBANKIN058131 |
hyperoside |
quercetin-3-O-beta-galactoside; Quercetin-3-O-Galactoside; Quercetin 3-O-galactoside |
C21H20O12 |
464.4 g/mol |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
TCMBANKIN058145 |
cinaroside |
Luteoloside; Glucoluteolin; Flavopurposide; ST2407074; HY-N0540; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-; MFCD06799436; Luteolin-7-O-glucoside; Galuteolin; Luteolin monoglucoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-; AX8061581; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(; Luteolin 7-glucoside, analytical standard; MCULE-8191036162; TR-019005; AC1NQXCE; SCHEMBL149118; luteolin glucoside; Luteolin 7-monoglucoside; SMR000232358; 5373/11/5; AC-6054; HMS2224O21; N1724; AK-25217; C03951; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; Luteolin 7-.beta.-D-glucoside; Luteolin 7-glucoside, primary pharmaceutical reference standard; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; SC-46564; ZX-AFC003073; Luteolin 7-O-glucoside; BG01739210; REGID_for_CID_5280637; SR-01000867987-2; CC-30093; MLS002473222; Luteolin 7-O-Glucoside, United States Pharmacopeia (USP) Reference Standard; 98J6XDS46I; Luteolin 7-glucoside; A-D-glucoside; Daphneflavonoloside; CHEMBL233929; N2724; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; V1543; Bio-0221; API0003232; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; PEFNSGRTCBGNAN-QNDFHXLGSA-N; AKOS015903261; 7-Glucosylluteolin; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; LS-39606; AJ-47986; I14-19110; Luteolin 7-O-beta-D-glucoside, >=98.0% (HPLC); Luteolin 7-O-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one; Cinaroside; 7-Glucoluteolin; lCynaroside; EINECS 226-365-8; MolPort-001-740-780; BDBM50241242; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Luteolin-7-D-glucopyranoside; KB-290714; Luteolin, glucoside; SR-01000867987; UNII-98J6XDS46I; Luteolin-7-O-D-glucopyranoside; A-D-glucopyranosyloxy)-5-hydroxy-; REGID_for_CID_657946; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside #; Luteolin-7-glucoside; Luteolin 7-b-glucoside; ZINC4096258; Luteolin 7-.beta.-D-glucopyranoside; Luteolin 7-O-; SR-01000867987-3; KS-00001FIQ; CS-5712; luteolin-7-O-beta-glucoside; NCGC00163589-01; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; BIDF1013; Luteolin 7-O-beta-D-glucoside; cid_5280637; C-22456; Cynaroside; MEGxp0_000619; CHEBI:27994; 373L115;Luteollin 5-glucoside; Luteolin-5-O-b-D-glucopyranoside; MolPort-020-005-904; BG01739205; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; FT-0697969; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Galuteolin; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; ST24047512; AIDS-219925; AX8245774; Luteolin 5-glucoside; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 20344-46-1; 0422AB; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; AK120358; ZINC33831307; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-; BG01154730; Luteolin-5-O-glucopyranoside; AC1NSVN1; Q-100249; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(.beta.-D-glucopyranosyloxy)-7-hydroxy-; AKOS016010674; Luteolin-5-O-beta-D-glucoside; luteolin-5-o-beta-d-glucopyranoside; 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; 569-89-1; AIDS219925; AJ-86337; SCHEMBL242602;luteolin-7-O-β-D-glucoside; luteolin-7-O-β-D-Glucoside; Luteolin-7-O-β-D-glucoside;luteolin-7-O-glucoside; Luteolin-7-glucosid; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; AKOS001483348; AKOS021983229; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; Glucoluteolin; NCI60_035927; Luteolin-7-glucoside; Luteoloside; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; Luteolin-7-O-glucoside; 7-Glucosylluteolin; NCGC00017208-02; AC1NRHCY; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 68321-11-9; NSC700145; Luteolin monoglucoside; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4 ,5,6-tetrahydropyran-2-yloxy)]chromen-4-one; NSC-724451; STOCK1N-08497; Luteolin-7-o- glucoside; Luteolin 7-O-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; SCHEMBL19523005; A2306/0097227; NCGC00163589-01; Luteolin-7-O-.beta.-D-glucopyranoside; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; NSC-700145; MolPort-002-708-422; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; Luteolin 7-O-glucopyranoside; Cinaroside; SCHEMBL149119; ST024704; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside; NSC724451; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(4,5,6-trihydroxy-3-(hydroxymethyl)(2-oxanyloxy))-4H-chromen-4-one; Luteolin 7-O-beta-D-glucoside; AIDS070478; 7-Glucoluteolin; EINECS 226-365-8; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; Luteolin 7-monoglucoside; luteolin-7-o-glucoside ; Luteolin 7-glucoside; Luteolin 7-galactoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; AIDS-070478; MEGxp0_000562; NCGC00142376-01; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; MEGxp0_000619; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Cynaroside; CHEBI:27994; MCULE-8064140924; Luteolin, glucoside; C03951; STK763169; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;Luteolin-7-Glucoside; luteolin-7-glucoside ; luteolin-7-glucoside;luteoloside;galuteolin;cynaroside |
C21H20O11 |
448.4 g/mol |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
TCMBANKIN058154 |
leucocyanidol |
leucocyanidol;Resivit;rel-(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; 2,3-trans-3,4-cis-Leucocyanidin; Leucoanthocyanidol; Leucocyanidin; Leucocyanidol; Procyanidol; 3,4-Cyanidiol; C05906; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol; Leucocianidol; 3,3',4,4',5,7-Flavanhexol; 480-17-1; (2R,3S,4S)-2-(3,4-dihydroxyphenyl)chroman-3,4,5,7-tetrol; Leukocyanidine; CHEBI:11412; 2r-(3,4-dihydroxyphenyl)chromane-3t,4t,5,7-tetrol |
C15H14O7 |
306.27 g/mol |
C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O |
TCMBANKIN058188 |
PHB |
NSC4961; AE-848/32195059; AIDS-018038; AI3-01003; 4-Hydroxybenzoic acid; Benzoic acid, p-hydroxy-; ST5210584; 54630_FLUKA; C00156; 4-HBA; InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10; Acido p-idrossibenzoico [Italian]; HSDB 7233; 99-96-7; p-Salicylic acid; p-Oxybenzoesaure [German]; HYDROXYBENZOIC ACID, PARA; NSC 4961; Benzoic acid, p-hydroxy; EINECS 202-804-9; CHEBI:30763; p-Hydroxybenzoic acid; H20059_ALDRICH; 240141_ALDRICH; NCGC00166040-01; Kyselina 4-hydroxybenzoova [Czech]; 4-Carboxyphenol; Benzoic acid, 4-hydroxy; W398608_ALDRICH; 4-Hydroxybenzoesaeure; Benzoic acid, 4-hydroxy-; AIDS018038; WLN: QVR DQ; 4-hydroxybenzoic; 4-hydroxy benzoic acid |
C7H6O3 |
138.12 g/mol |
C1=CC(=CC=C1C(=O)O)O |
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 |
TCMBANKIN058288 |
catechol |
430749_ALDRICH; Catechin (phenol); Pyrokatechin [Czech]; NCGC00015283-01; Catechol-UL-14C; NCI-C55856; CI Oxidation Base 26; CHEBI:18135; benzene-1,2-diol; C15571; 120-80-9; InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8; C9510_SIAL; Fouramine PCH; 135011_SIAL; Lopac-C-9510; 2-hydroxyphenol; NSC 1573; NCGC00091262-01; Fourrine 68; o-Diphenol; C.I. Oxidation Base 26; o-Dioxybenzene; C00090; ST5214346; (1,2,3,4,5,6-(1)?C?)BENZENE-1,2-DIOL; AB-131/40235236; Lopac0_000280; ortho-Benzenediol; Catechol (phenol); ortho-Hydroquinone; ZINC00330145; 16474-90-1; pyrocatechol; benzenediol; Brenzcatechin; 12385-08-9; C01785; EINECS 204-427-5; EU-0100280; nchembio801-comp10; o-Dihydroxybenzene; Durafur Developer CFouramine PCH; o-Hydroxyphenol; Phthalhydroquinone; 16474-89-8; Catechol-pyrocatechol; CCRIS 741; ACM19481108; AI3-03995; Pyrocatechinic acid; CI 76500; Durafur developer C; o-Phenylenediol; 1,2-dihydroxybenzene; ortho-Hydroxyphenol; Oxyphenic acid; BRN 0471401; c0097; pyrocatechol-ul-14C; CAQ; 37349-32-9; ortho-Dihydroxybenzene; AIDS-108194; C3561_SIAL; o-Benzenediol; ortho-Dioxybenzene; Katechol [Czech]; Pelagol Grey C; Pyrokatechol [Czech]; AIDS108194; Pyrocatechinic acidPyrocatechol; WLN: QR BQ; Pyrocatechine; 1,2-benzenediol; o-Hydroquinone; CATECHOL; Benzene, o-dihydroxy-; pyrocatechin; ortho-Phenylenediol; HSDB 1436; C9593_SIGMA; NSC1573; C.I. 76500;pyrocatechol;o-hydroquinone;o-phenylenediol;1,2-benzenediol |
C6H6O2 |
110.11 g/mol |
C1=CC=C(C(=C1)O)O |
TCMBANKIN058486 |
Heriguard |
Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-; SDCCGMLS-0066467.P001; 202650-88-2; ACon1_000581; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; NSC407296; C00852; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Chlorogenic acid hemihydrate; Spectrum5_000733; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16112; C12209; Prestwick0_000427; CCRIS 1400; Prestwick3_000427; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; EINECS 206-325-6; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick2_000427; 3-Caffeoylquinic acid; BSPBio_000414; DivK1c_007053; KBio1_001997; BPBio1_000456; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SMP1_000066; KBio2_002354; KBio2_004922; AIDS-012116; C3878_SIGMA; Caffeoyl quinic acid; SPECTRUM210800; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 25700_FLUKA; trans-5-O-Caffeoyl-D-quinate; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); SPBio_001836; BSPBio_003353; KBio3_002855; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; BB_NC-1939; NSC70861; NSC 407296; Chlorogenic acid; Chlorogenate; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; Spectrum3_001797; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; Spectrum2_001898; AIDS012116; Spectrum_001846; 3-O-Caffeoylquinic acid; SPBio_002353; KBio2_007490; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; KBioSS_002357; NSC 70861; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Prestwick1_000427; Hlorogenic acid; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; SpecPlus_000957; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 327-97-9; Chlorogenic acid (8CI); (+)-Chlorogenic acid; ZINC2138728; AJ-33519; SDCCGMLS-0066467.P001; 3-(3,4-Dihydroxycinnamoyl)quinate; Hoodia Chinese Extract; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NCGC00168941-03; AK-49688; CCRIS 1400; 3-CQ; 3-Caffeoylquinic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; BPBio1_000456; Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]; 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; UNII-318ADP12RI; 5-Caffeoylquinic acid; BB_NC-1939; (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHLOROGENIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; 3-O-Caffeoylquinic acid; Caffetannic acid; Chlorogenic acid [MI]; ALBB-030169; 202650-88-2; CCG-38471; Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; C00852; trans-5-O-Caffeoylquinic acid; HMS1923C11; MLS002153805; trans-5-O-caffeoyl-D-quinate; MolPort-035-394-873; CHEBI:16112; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; SMR000857273; Prestwick2_000427; Chlorogenic acid [WHO-DD]; SR-01000946600-1; Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard; MCULE-8135887819; SR-01000841185; ACT03375; SPECTRUM210800; edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SR-01000946600; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid; PubChem13036; 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; Chlorogenate; AC1LX54Y; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID; Chlorogenic?acid; Quinic acid, 3-caffeoyl-, E-; NCGC00168941-01; AC-6032; AKOS015955866; 32CF6D13-8F08-485F-B79E-F8A6AC318E07; (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; TL8001703; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NSC-407296; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard; Hlorogenate; 3-trans-Caffeoylquinic acid; BG00688012; ACon1_000581; Chlorogenic acid, Chiral; HMS2235F03; NSC407296; J10338; ST2419179; Quinic acid, 5-caffeoyl-; CC-919; 318ADP12RI; Prestwick3_000427; EINECS 206-325-6; NCGC00168941-02; 3-o-caffeoylquinic acid ; CHEBI:95271; BIDD:ER0453; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 327C979; 3-Caffeoylquinate; HY-N0055; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); NSC70861; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; CHEMBL284616; CWVRJTMFETXNAD-JUHZACGLSA-N; 5-CQA; NSC 70861; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid; bmse000387; Hlorogenic acid; LS-1202; SCHEMBL19466; (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; MolPort-001-740-212; Chlorogenic acid (constituent of st. john's wort) [DSC]; RL03176; Chlorogenic acid, primary pharmaceutical reference standard; AS-12284; MFCD00003862; 3-CQA; NSC-70861; Spectrum5_000733; D02HCQ; DB12029; SR-01000841185-4; HMS2096E16; s2280; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; SC-13943; HMS3649E06; Chlorogenic acid, >=95% (titration); I04-11738; 5-caffeoyl quinic acid; 3-O-caffeoyl quinic acid; CS-3766; Caffeoyl quinic acid; Chlorogenicacid; BSPBio_003353; BDBM50327036; BC202916; NSC 407296; HMS1569E16; caffeoylquinic acid; CP chlorogenic acid; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; 3-O-caffeoyl-D-quinic acid; trans-Caffeic acid 5-o-D-quinate; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Heriguard; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; 3-(3,4-Dihydroxycinnamoyl)quinic acid; BRD-K47114202-001-06-2; D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43; BSPBio_000414; 327-97-9; CC0158; K-7597; 3-o-caffeoylquinic acid; caffetannic acid;caffeoylquinic acid ; 3- caffeoylquinic acid; 4-o-caffeoyl-d-quinic acide; [3-4] Chlorogenic acid; Chlorgenic acid; 4-o-caffeoyl-d-quinic acide; 5-caffeoylquinic acid; isochlorogenic acid; 5-Dicaffeoylquinic acid; isochlorogenic acid a; 5-o-caffeoylquinic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; BIB6027; 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; NSC-407297; AKOS022146313; neochlorogenicacid; CWVRJTMFETXNAD-DUXPYHPUSA-N; BDBM153327; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; 5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,4-trihydroxycyclohexanecarboxylic acid; neo-chlorogenic,acid; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; STL377917; 5-caffeoylquinic acid; neo-chlorogenic acid; NSC407297; ZX-AT010530; Isochlorogenic acid; 5-O-caffeoyl quinic acid; 5Z-Caffeoylquinic acid; AC1NSTIZ; BBL028113; OR1166; BPH-1068; 534-61-2; SCHEMBL1228850; MolPort-001-759-169; neochlorogenic acid; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid; Neochlorogenic acid; isochlorogenic acid; isochlorogenicacid; ZINC3947476; NCGC00142471-01; NCGC00017241-02; AKOS025402181; CHEMBL1552319; AC-6051; chorogenic acid; 1,3-caffeoylquinic acid |
C16H18O9 |
354.31g/mol |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
TCMBANKIN058716 |
β-selinene |
ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
C15H24 |
204.35 g/mol |
CC(=C)C1CCC2(CCCC(=C)C2C1)C |
TCMBANKIN058804 |
8-Isopentenyl-kaempferol |
De-O-methylanhydroicaritin; Noranhydroicaritin; CHEMBL192159; MolPort-039-063-533; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone; LMPK12111981; 28610-31-3; desmethylicaritin; AC1NSX3I; AKOS025288161; 8-c-prenylkaempferol; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 4CN-2888; 8-isopentenyl-kaempferol; BG01643044; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone; 8-Prenylkaempferol; Desmethyl Icaritin; FT-0666133; DTXSID70415743; 0V5XK67Y0S; UNII-0V5XK67Y0S; 4'-Desmethylicaritin; SCHEMBL4223551; 3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-; Noranhydroicartin; W-202198; ZINC14762765;desmethylicaritin |
C20H18O6 |
354.35 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)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 |
TCMBANKIN059170 |
alpha-elemene |
α- elemene; α--elemene; α-Elemene; α-elemene;(6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidene-cyclohexene; (S)-6-Ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene; 5951-67-7; (6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene; (6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinyl-cyclohexene;(6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinylcyclohexene |
C15H24 |
204.35 g/mol |
CC(C)C1=CC(=C(C)C)CCC1(C)C=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 |
TCMBANKIN059873 |
Khell |
|
C14H12O5 |
260.24 |
CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC |
TCMBANKIN059889 |
α-rotunol |
|
C15H22O2 |
234.33 g/mol |
CC1=CC(=O)CC2(C1(CC(CC2)C(=C)C)O)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 |
TCMBANKIN059950 |
Cadalin |
|
C15H18 |
198.3 |
CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C |
TCMBANKIN059960 |
(-)-g-cadinene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=C)CCC2C(C)C |
TCMBANKIN059962 |
cadinen;α-Cadinene;1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene;1,2,4A,5,6,8A-hexahydro--4,7-dimethyl-(1-methylethyl)-naphthalene;muurolene;1,2,4a,5,6,8a- hexhydro- 4,7- dimethyl- 1-(1- methylethyl)-(1alpha 4a. alpha.,8a alpha. )- naphthalene;alpha cadinene;α-muurolene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=CCC2C(C)C)C |
TCMBANKIN059974 |
alpha-phellandrene |
|
C10H16 |
136.23 |
CC1=CCC(C=C1)C(C)C |
TCMBANKIN060004 |
cadinene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C(C1)C(CC=C2C)C(C)C |
TCMBANKIN060009 |
copaene; (-)-Alpha-Copaene; α-copaene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C3C1C2(CCC3C(C)C)C |
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 |
TCMBANKIN060409 |
gamma-Calacorene |
|
C15H20 |
200.32 g/mol |
CC1CC=C(C2=C1C=CC(=C2)C)C(C)C |
TCMBANKIN060453 |
α-acoradiene;Acoradiene |
|
C15H24 |
204.35 |
CC1CCC(C12CCC(=CC2)C)C(=C)C |
TCMBANKIN060463 |
rotundone |
|
C15H22O |
218.33 g/mol |
CC1CCC(CC2=C1C(=O)CC2C)C(=C)C |
TCMBANKIN060464 |
epoxyguaine |
|
C15H24O |
|
CC1CCC(CC23C1(O2)CCC3C)C(=C)C |
TCMBANKIN060468 |
(+)-calaren |
|
C15H24 |
204.35 |
CC1CCC=C2C1(C3C(C3(C)C)CC2)C |
TCMBANKIN060595 |
(-)-Isorotundene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C1CC3CCC2(CC3=C)C |
TCMBANKIN060603 |
1,1alpha,4,5,6,7,7alpha,7beta-Octahydro-1,1,7,7alpha-tetramethyl-2H-cyclopropa (alpha)-naphthalen-2-one |
|
C15H22O |
218.37 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
TCMBANKIN060679 |
stigmasterol |
|
C29H48O |
412.7 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
TCMBANKIN060680 |
stigmasterol-3-glucoside |
|
C35H58O6 |
574.83 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)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 |
TCMBANKIN061561 |
vanillic acid |
CJ-02984; CHEBI:16632; Vanillate; CHEBI:30816; H36001_ALDRICH; InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11; BRN 2208364; WKOLLVMJNQIZCI-UHFFFAOYSA-M; 94770_FLUKA; WLN: QVR DQ CO1; MLS000574833; Acide vanillique; vanillicacid; C06672; m-Anisic acid, 4-hydroxy-; VA (VAN); vanil-lic acid; 4-Hydroxy-3-methoxybenzoic acidion; 4-Hydroxy-3-methoxybenzoic acid; Protocatechuic acid, 3-methyl ester; NSC3987; NSC 674322; DB02130; VANILLIC ACID; p-Vanillic acid; NSC 3987; ZB010900; 4-Hydroxy-3-methoxybenzoate; AIDS-018089; p-Hydroxy-m-methoxy-benzonic acid; 3-Methoxy-4-hydroxybenzoic acid; 4-hydroxy-3-methoxy-benzoic acid; NSC674322; 6746-48-1; 121-34-6; AC1L2LVA; Benzoic acid, 4-hydroxy-3-methoxy-; AI3-19542; SMR000156289; AIDS018089; SBB008280; W398802_ALDRICH; EINECS 204-466-8; 4-hydroxy-3-methoxy benzoic acid; 3-methoxy-4-hydroxybenzoic acid |
C8H8O4 |
168.15 g/mol |
COC1=C(C=CC(=C1)C(=O)O)O |
TCMBANKIN061590 |
isorhamnetin |
3'-O-Methylquercetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; Isorhamnetin; BRN 0044723; Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-; C10084; Quercetin 3'-methyl ether; 3'-Methoxyquercetin; CCRIS 3791; 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); C.I. 75680; 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone; ST5309356; Quercetin, 4'-methyl ether; Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-; AIDS-003060; 480-19-3; ACon1_000275; AIDS003060; 4'-O-Methylquercetin; 3-Methylquercetin; Oprea1_145406; ZINC00517261; 4'-Methoxyquercetin; NCGC00163572-01; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; BRN 0324993; 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI); EINECS 210-050-7; 3'-Methoxy-3,4',5,7-tetrahydroxyflavone; MEGxp0_001863; NCGC00163572-02; EINECS 207-545-5; Isorhamnetol; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; 17794_FLUKA; FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-; 4'-Methylquercetin; 5-18-05-00496 (Beilstein Handbook Reference); 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 3-Methylquercetine; FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-; 3-methylquercetin; quercetin-3'-methyl ether |
C16H12O7 |
316.26 g/mol |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
TCMBANKIN061596 |
chrysoeriol;5,7,4′-trihydroxy-3′-methoxyflavone;3'-methoxy-4',5,7-trihydroxyflavone |
35.850895 |
C16H12O6 |
300.26 g/mol |
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
TCMBANKIN061671 |
dl-tetrahydropalmatine |
dl-tetrahydropalmatine;AIDS002241; 84-38-8; 13a-alpha-Berbine, 2,3,9,10-tetramethoxy-; CHEBI:16563; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)-; (S)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; AIDS-002241; C02890; Hyndarine; (-)-Corydalis; 4880-82-4 (HCL); NSC36363 (HCL); InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s; 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; 5,8,13,13a(S)-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine; 2-(2,3-Dimethoxy-benzyl)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline; BB_NC-1018; Gindarine; Tetrahydropalmatine (6CI); Berbine, 2,3,9,10-tetramethoxy- (8CI); Tetrahydropalmatine; l-Tetrahydropalmatine; (S)-Tetrahydropalmatine; Caseanine; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-; Rotundine; (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline; 483-14-7; (13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline; 6H-dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aS)-; (-)-Tetrahydropalmatine;2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline hydrochloride; 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline hydrochloride; AKOS024399264; MolPort-002-321-247; Berbine,3,9,10-tetramethoxy-, hydrochloride; NSC-132057; NSC-209411; 2,3,9,10-Tetramethoxyberbine hydrochloride; 6024-85-7; CHEMBL1412574; NSC132058; Palmatine, hydrochloride, (.+-.)-; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (R)-; Tetrahydropalmatine hydrochloride; 024T857; C-55689; MCULE-7006385138; Palmatine, hydrochloride, (+)-; A832652; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride; MLS000029596; Ambotz6024-85-7; 2506-20-9; FT-0698667; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (.+-.)-; WLN: T D6 B666 KN&TT&J GO1 HO1 PO1 QO1 &GH; AC1O7ERI; NSC132057; NSC-132058; MLS002535962; AK310574; 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride; AC-8031; 13a.beta.-Berbine,3,9,10-tetramethoxy-, hydrochloride; Berbine,3,9,10-tetramethoxy-, hydrochloride, (+)-; NSC209411; Berbine,3,9,10-tetramethoxy-, hydrochloride, (.+-.)-; 3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6000000-azatetraphene hydrochloride; SCHEMBL3502167; AC1Q3C4E; D-Tetrahydropalmatine hydrochloride; Tetrahydropalmatine, HCl; SMR000008833;(13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;Hyndarin;tetrahydropalmatine;L-tetrahydropalmatine;STOCK1N-14407 |
C21H25NO4 |
355.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
TCMBANKIN061753 |
tricin |
5,7,4′-Trihydroxy-3′,5′-dimethoxyflavone; NSC294579; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; AIDS-120640; 3',5'-O-dimethyltricetin; CHEBI:60016; 3',5'-di-O-methyltricetin(1-); 5,7,4-trihydroxy-3, 5-dimethoxyflavone; 3',5'-di-O-methyltricetin; 520-32-1; Tricetin 3',5'-di-methyl ether; Tricin; C10193; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; AIDS120640; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; NSC 294579; 4',5,7-trihydroxy-3',5'-dimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-olate |
C17H14O7 |
330.29 |
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |