TCMBANKIN001302 |
helianthoside b |
|
C58H94O25 |
1191.3 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CC(C6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C)O)O)OC1C(C(C(CO1)O)O)O |
TCMBANKIN001395 |
niveusin c |
|
C20H26O7 |
378.4 g/mol |
CC=C(C)C(=O)OC1CC2(C(CC(O2)(C(=CC3C1C(=C)C(=O)O3)C)O)O)C |
TCMBANKIN003584 |
rubixanthin |
E161d; CHEBI:8907; LMPR01070281; SCHEMBL43266; 0PWJ89032Q; (all-E,3R)-rubixanthin; C08611; Rubixanthin; g-Caroten-3-ol; 3-Hydroxy-g-carotene; CI 75135; (3R)-beta-4-Caroten-3-ol; (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24; (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol; 3763-55-1; E 161d; (3R)-beta,psi-caroten-3-ol; beta-4-Caroten-3-ol, (3R)-; UNII-0PWJ89032Q; ZINC8221265; AC1NQYA3; b,y-Caroten-3-ol; Natural yellow 27 |
C40H56O |
552.87 |
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C |
TCMBANKIN009031 |
scoulerine |
CHEMBL1395394; AKOS032949038; CAS-6451-73-6; AC1LMC5I; Scoulerine; ZINC28465423; (+)-Scoulerine; 4CN-3063; (13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; BDBM50429050; NCGC00016674-01 |
C19H21NO4 |
327.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
TCMBANKIN031387 |
helianthoside a |
|
C53H86O21 |
1059.2 g/mol |
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CC(C8(C7CC(CC8)(C)C)C(=O)O)O)C)C)C)COC9C(C(C(CO9)O)O)O)C)O)O)O)O |
TCMBANKIN033482 |
Quinicine |
quinicine |
C20H24N2O2 |
324.4 g/mol |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
TCMBANKIN033843 |
rubricauloside |
8-[3-[(2S,3S,6S)-6-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,4-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one; AC1O3DX7 |
C27H38O15 |
602.58 |
CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O |
TCMBANKIN038323 |
quinic acid |
Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 |
C7H12O6 |
192.167 |
C1([H])(O[H])[C@@]([H])(O[H])C([H])([H])C(C(O[H])=O)(O[H])C([H])([H])[C@]1([H])O[H] |
TCMBANKIN039390 |
Heliangin |
|
|
362.4 g/mol |
|
TCMBANKIN041371 |
Fumaricine |
(1R,8'S)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; Fumaricin; C09444; (1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; BRD-A87196087-001-01-3; O-Methylfumarophycinol; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, trans-(-)-; 24181-77-9; 6',7'-DIMETHOXY-2'-METHYL-3',4',6,8-TETRAHYDRO-2H-SPIRO[INDENO[4,5-D][1,3]DIOXOLE-7,1'-ISOQUINOLIN]-8-OL; (1R,8'S)-6,7-dimethoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]ol; MolPort-005-945-964; AC1LD0NJ; Dihydroparfumidine; QDNMFIYGVRUVCE-UHFFFAOYSA-N; 6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; ACon1_001324; fumaricine; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, (7S-trans)- |
C21H23NO5 |
369.411 |
C([H])([H])([H])Oc1c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]23C([H])([H])c(c([H])c([H])c(OC([H])([H])O4)c45)c5[C@@]2(O[H])[H])c3c([H])c1OC([H])([H])[H] |
TCMBANKIN057915 |
FUM |
U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid |
C4H4O4 |
116.07 |
C(=CC(=O)O)C(=O)O |
TCMBANKIN058484 |
quinic acid |
Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 |
C7H12O6 |
192.17 |
C1C(C(C(CC1(C(=O)O)O)O)O)O |
TCMBANKIN061494 |
nobiletin |
Spectrum4_001020; 38664-96-9; 7-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone; CHEBI:28819; UNII-N7TD9J649B; MCULE-5348711723; SDCCGMLS-0066776.P001; N7TD9J649B; cid_442428; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-chromenone; 5-Hydroxy-2-(4-hydroxyphenyl)-7-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-4-chromanon; EINECS 233-566-4; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringenin 7-Rhamnoglucoside; 30552-25-1; BSPBio_000574; NCGC00142617-03; MEGxp0_000930; HMS2231M18; J10148; GTPL4738; CS-5632; BDBM50241582; NCGC00142617-02; CCG-208591; 10236-47-2; 7-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4,5,7-trihydroxyflavone;Naringin; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; AIDS-003056; HY-N0153; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydrox; MLS000574877; 30174-44-8; NCI60_041691; Naringenine-7-rhamnosidoglucoside; NSC618903; Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside; DTXSID6022478; STOCK1N-40898; ACon1_000139; (S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; N2371; AIDS003056; naringin; Prestwick2_000467; MolPort-001-742-592; (2S)-Naringin; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromone; 5,6,7,8,3',4'-Hexamethoxyflavone; Flavone, 5,6,7,8,3',4'-hexamethoxy; DFPMSGMNTNDNHN-ZPHOTFPESA-N; (2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Spectrum2_001697; 17784-35-9; KBio3_001922; SPBio_002513; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-; Nobiletin; Spectrum3_000921; ACon1_000921; SMR000059108; 7-[[2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; IDI1_000247; Prestwick0_000467; BIDD:ER0262; NSC 76751; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl); s2329; naringenin 7-O-(alpha-L-rhamnosyl-(1,2)-beta-D-glucoside); NCGC00142617-01; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- (9CI); MFCD00148888; BG00878320; ZINC8143604; Naringin (Naringoside); Naringoside, Naringenine-7-rhamnosidoglucoside, 10236-47-2; Prestwick3_000467; 10236-69-8; BRD-K02953697-002-03-3; cid_25075; SR-01000736681; NINDS_000247; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; SR-01000736681-4; MLS000877030; MLS000759462; SPECTRUM1505268; 478-01-3; ST072162; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; AS-12929; 11032-31-8; C10112; CHEMBL451532; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; Naringin hydrate; 236N472; 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannapyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl), (S)-; KBioGR_001519; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one; DivK1c_000247; Naringenin 7-O-neohesperidoside; CC-32461; 4'5-diOH-Flavone-7-rhgluc; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; SCHEMBL23432; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside; MLS000069459; HMS500M09; Naringenin-7-beta-neohesperidoside; (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Prestwick1_000467; AKOS016034302; AI3-19008; NCGC00095703-01; Naringoside; aurantiin; C09789; Hexamethoxyflavone; SMR000156231; 109010-50-6; KBio1_000247; AC1L9CSZ; yphenyl)chroman-4-one; ZINC01531669; Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]; MEGxp0_001877; C27H32O14; NSC76751; SPBio_001654; SR-01000736681-5; C-23277; BPBio1_000632;5,6,7,8,3',4'-hexamethoxyflavone |
C21H22O8 |
402.4 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
TCMBANKIN061530 |
scopolin |
scopolin ; Scopolin; 6-METHOXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-2-ONE;6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; CHEBI:16065; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; ZINC04082214; STOCK1N-54345; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; 6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone;6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside |
C16H18O9 |
354.31 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
TCMBANKIN061669 |
(-)-discretamine |
Prestwick3_000601; (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol; BPBio1_000554; CHEBI:17129; C02106; (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol; BSPBio_000502; CHEMBL1395394; AKOS032949038; CAS-6451-73-6; AC1LMC5I; Scoulerine; ZINC28465423; (+)-Scoulerine; 4CN-3063; (13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; BDBM50429050; NCGC00016674-01; scoulerine; (S)-Scoulerine |
C19H21NO4 |
327.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |