TCMBANKIN000454 |
Japonipene G |
|
|
|
|
TCMBANKIN001067 |
Angelic acid |
EINECS 209-284-2; NSC 96885; Angelikasaeure; angelic acid; cis-2-dimethylcrotonic acid; UIERETOOQGIECD-ARJAWSKDSA-N; 2-butenoic acid, 2-methyl-, (2Z)-; alpha-methylisocrotonic acid; 2-Methyl-2-butenoic acid, cis; 2-Methyl-(Z)-Crotonic acid; Angelicasaeure; cis-2-Methyl-2-butenoic acid; InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3; AK307425; MolPort-006-111-892; TR-019840; CHEBI:36431; DB-007259; MFCD00002654; Angelikasaure; ST088024; AKOS003662964; 2-methyl-2Z-butenoic acid; CHEMBL55941; 2-Methyl-(2Z)-2-butenoic acid; ZX-AT028248; BBL012257; SBB071598; Q-201832; alpha-methyl isocrotonic acid; I14-108119; acide angelique; STL163578; Crotonic acid, 2-methyl-, (Z)-; 2-Methyl-(Z)-2-Butenoic acid; H6239; SCHEMBL133954; NSC96885; KB-47402; NSC-96885; ALD-N035924; 2-Butenoic acid,2-methyl-, (2Z)-; (2Z)-2-Methyl-2-butenoic acid; 565-63-9; angelicacid; acido angelico; Crotonic acid, 2-methyl-, (Z)- (8CI); cis-2,3-dimethylacrylic acid; (Z) CH3CH=C(CH3)COOH; ZINC897447; LMFA01020029; (Z)-2-methylbut-2-enoic acid; UNII-54U4ZPB36F; Z-2-methylcrotonic acid; 54U4ZPB36F; (Z)-2-Methyl-2-butenoic Acid; 2-Butenoic acid, 2-methyl-, (Z)-; (2Z)-2-methylbut-2-enoic acid; AC1LD88O; Z-2-methyl-2-butenoic acid; CC-24130; (Z)-2-methylcrotonic acid; 2-Methylisocrotonic acid |
C5H8O2 |
100.12 |
CC=C(C)C(=O)O |
TCMBANKIN001309 |
fukugiside |
|
C36H30O16 |
718.6 g/mol |
C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O |
TCMBANKIN002157 |
laponipene A |
|
|
|
|
TCMBANKIN003256 |
Bakkenolide-Fa |
|
C25H36O6 |
432.5 g/mol |
CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)CC(C)C)C)C |
TCMBANKIN003966 |
Hakkenolide-Fb |
|
C25H36O6 |
|
CC=C(C)C(=O)OC1C2C(CCC(C2(CC13C(=C)COC3=O)C)C)OC(=O)CC(C)C |
TCMBANKIN004431 |
senkirkine |
|
C19H27NO6 |
365.42 |
CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C |
TCMBANKIN004988 |
veratroyl zygadenine |
veratroylzygadenine |
C36H51NO10 |
657.8 g/mol |
CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7C5(CCC(C7(O6)O)OC(=O)C8=CC(=C(C=C8)OC)OC)C)(C)O |
TCMBANKIN005615 |
isopetasin |
|
C20H28O3 |
316.4 g/mol |
CC=C(C)C(=O)OC1CCC2=CC(=O)C(=C(C)C)CC2(C1C)C |
TCMBANKIN006057 |
Bakkenolidc-K |
|
C24H34O6 |
|
CC=C(C)C(=O)OC1C2C(CCC(C2(CC13C(=C)COC3=O)C)C)OC(=O)C(C)C |
TCMBANKIN006082 |
Bakkenolide-Va |
|
|
|
|
TCMBANKIN008077 |
petasiphenol |
|
C18H16O7 |
344.3 g/mol |
C1=CC(=C(C=C1CC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
TCMBANKIN008530 |
petasitolone |
|
C15H24O2 |
236.35 g/mol |
CC1CCCC2C1(C=C(C(=O)C2)C(C)(C)O)C |
TCMBANKIN008727 |
furanoeremophilane-6beta,10beta-diol |
furanoeremophilane-6β,10β-diol |
C15H22O3 |
|
CC1CCCC2(C1(C(C3=C(C2)OC=C3C)O)C)O |
TCMBANKIN009842 |
s-japonine |
|
C19H28O3S |
|
CC1CC(CC2C1(CC(=C(C)C)C(=O)C2)C)OC(=O)C=CSC |
TCMBANKIN009959 |
valerilactones A |
|
|
|
|
TCMBANKIN010896 |
petasin |
|
C20H28O3 |
316.4 g/mol |
CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C |
TCMBANKIN011877 |
Bakkenolide-IIIa |
|
C24H32O6S |
448.6 g/mol |
CC=C(C)C(=O)OC1C2C(CCC(C2(CC13C(=C)COC3=O)C)C)OC(=O)C=CSC |
TCMBANKIN012967 |
petasitenine |
|
C19H27NO7 |
381.4 g/mol |
CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C |
TCMBANKIN014399 |
Eremophilene |
eremophilene |
C15H24 |
204.35 |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
TCMBANKIN015465 |
petunidin-3-arabinoside |
|
C21H21ClO11 |
484.8 g/mol |
COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(CO4)O)O)O)O)O.[Cl-] |
TCMBANKIN015595 |
Bakkenolide-IVa |
|
C24H32O5S |
432.6 g/mol |
CC1CCC(C2C1(CC3(C2C(=O)C=C(C)C)C(=C)COC3=O)C)OC(=O)C=CSC |
TCMBANKIN016966 |
1,4,7-tridecatriene |
(4E,7E)-trideca-1,4,7-triene; AC1NT13L |
|
|
CCCCCC=CCC=CCC=C |
TCMBANKIN017905 |
petasalbin |
|
C15H22O2 |
234.33 g/mol |
CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C |
TCMBANKIN018139 |
homofukinolide |
|
C25H34O6 |
430.5 g/mol |
CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C(=CC)C)C)C |
TCMBANKIN018247 |
ligularone |
|
C15H20O2 |
232.32 g/mol |
CC1CCCC2C1(C(=O)C3=C(C2)OC=C3C)C |
TCMBANKIN018261 |
10alpha-h-furanoligularenone |
10α-h-furanoligularenone |
C15H18O2 |
|
CC1C(=O)C=CC2C1(CC3=C(C2)OC=C3C)C |
TCMBANKIN019396 |
Bakkenolide-X |
|
C17H24O5 |
308.4 g/mol |
CC1CCC(C2C1(CC3(C2O)C(=C)COC3=O)C)OC(=O)C |
TCMBANKIN020705 |
2-isopropyl-5-methyl-hexyl-4-fork aldehyde |
|
|
|
|
TCMBANKIN022073 |
3α,6β-dihydroxy-taraxer-14-en |
|
|
442.8 |
|
TCMBANKIN022084 |
Dihydrofukinolide |
dihydrofukinolide |
C22H32O6 |
392.49 |
CCC(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C |
TCMBANKIN022743 |
n-butyl acetylglutamate |
|
|
|
|
TCMBANKIN025994 |
petasalbin methyl ether |
|
C16H24O2 |
248.36 g/mol |
CC1CCCC2C1(C(C3=C(C2)OC=C3C)OC)C |
TCMBANKIN027160 |
petasitin |
|
C20H28O4 |
332.4 g/mol |
CC=C(C)C(=O)OC1CCC2=CC(=O)C(=CC2(C1C)C)C(C)(C)O |
TCMBANKIN027728 |
(6ar, 11ar) -10-hydroxy-3, 9-dimethoxypterocarpane |
(6ar, 11ar)-10-hydroxy-3, 9-dimethoxypterocarpane; (6ar,11ar) -10-hydroxy-3,9-dimethoxypterocarpane |
|
|
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O |
TCMBANKIN030038 |
mucusoside |
|
C48H93NO10 |
844.3 g/mol |
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCC=CCCCCC)O)O)O |
TCMBANKIN031167 |
albopetasin |
|
C20H28O3 |
316.4 g/mol |
CC=C(C)C(=O)OC1C2=C(CC3C1(C(CCC3)C)C)OC=C2C |
TCMBANKIN031609 |
(E)-9-Isopropyl-6-methyl-5,9-decadiene-2-one |
(5E)-6,10-DIMETHYL-9-METHYLIDENEUNDEC-5-EN-2-ONE; AC1NSX49; LMPR0103030001; 6,10-dimethyl-9-methylene-5E-undecen-2-one; (e)-9-isopropyl-6-methyl-5,9-decadiene-2-one; (5E)-9-isopropyl-6-methyl-deca-5,9-dien-2-one; (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one; 6,10-Dimethyl-9-methylene-5-undecene-2-one; 6,10-dimethyl-9-methylene-undec-5E-en-2-one; 64854-44-0; (E)-6,10-dimethyl-9-methylene-undec-5-en-2-one; (E)-6,10-dimethyl-9-methyleneundec-5-en-2-one; (E)-6,10-dimethyl-9-methylidene-undec-5-en-2-one; (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one |
C14H24O |
208.34 |
CC(C)C(=C)CCC(=CCCC(=O)C)C |
TCMBANKIN032241 |
liguloxide |
|
C15H26O |
222.37 g/mol |
CC1CCC2CC3(C1CCC3C)OC2(C)C |
TCMBANKIN032431 |
Japonipene B |
|
|
|
|
TCMBANKIN032483 |
9-acetoxyfukinanolide |
|
C17H24O4 |
292.4 g/mol |
CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C |
TCMBANKIN033456 |
1-nonen-3-ol |
NSC 102782; SCHEMBL148996; I14-63431; nonene-1-ol-3; 79605-61-1; N0451; NSC102782; NSC-102782; TC-113389; DWUPJMHAPOQKGJ-UHFFFAOYSA-; Hexyl vinyl carbinol; DWUPJMHAPOQKGJ-UHFFFAOYSA-N; AC1L3I4L; EINECS 244-686-1; CTK1A5603; 1-Nonen-3 ol; AC1Q7186; ANW-24644; ACMC-1BHJE; Hexylvinylcarbinol; 21964-44-3; 1-Nonene-3-ol; Non-1-en-3-ol; LMFA05000504; MFCD00021953; 3-Hydroxy-1-nonene; AKOS009156593; InChI=1/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3; 1-Nonen-3-ol; J-014376; AC1Q2VTP; FT-0608165; delta1-nonen-3-ol; KB-13032; 1-Vinylheptanol; AN-17896 |
C9H18O |
142.24 g/mol |
CCCCCCC(C=C)O |
TCMBANKIN033558 |
dihydroharman |
|
C12H12N2 |
184.24 g/mol |
CC1=NCCC2=C1NC3=CC=CC=C23 |
TCMBANKIN033704 |
Petatewalide B |
|
|
|
|
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 |
|
TCMBANKIN037721 |
Jasminoidin |
|
C17H24O10 |
388.366 |
C1(C(=O)OC([H])([H])[H])=C([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)[C@]([H])(C(C([H])([H])O[H])=C([H])C3([H])[H])[C@@]13[H] |
TCMBANKIN038399 |
α-Santalene |
ZINC64634147; alpha-santalene ; ZINC100506743; (+)-alpha-santalene; alpha-santalene; (1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.0(2,6)]heptane; KWFJIXPIFLVMPM-PEGGXJLSSA-N; CHEBI:61677; (2R,6S,7R)-1,7-DIMETHYL-7-(4-METHYLPENT-3-EN-1-YL)TRICYCLO[2.2.1.0(2),?]HEPTANE |
|
204.35 |
|
TCMBANKIN038989 |
β-santalene |
BETA-SANTALENE; (-)-beta-Santalene; CHEBI:10440; (1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane; (-)-ss-Santalen; beta-santalene; C09718; 511-59-1; PGBNIHXXFQBCPU-ILXRZTDVSA-N; (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane |
C15H24 |
204.35 g/mol |
CC(=CCCC1(C2CCC(C2)C1=C)C)C |
TCMBANKIN039208 |
Fukinolic acid |
fukinolicacid |
C22H22O11 |
462.403 |
c1(C([H])([H])[C@@]([C@@]([H])(C([H])([H])C(=O)O[H])OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])(C([H])([H])C(=O)O[H])O[H])c([H])c([H])c(O[H])c(O[H])c1[H] |
TCMBANKIN039312 |
s-furanopetasitin |
|
C24H32O5S |
432.6 g/mol |
CC=C(C)C(=O)OC1C2=C(CC3C1(C(C(CC3)OC(=O)C=CSC)C)C)OC=C2C |
TCMBANKIN042029 |
Furanofukinol |
|
C15H22O3 |
250.333 |
c12c(oc([H])c1C([H])([H])[H])C([H])([H])[C@]3([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C3([H])[H])[C@]2([H])O[H] |
TCMBANKIN042172 |
Spetasin |
s-petasin |
|
334.5 g/mol |
|
TCMBANKIN045133 |
fukinolide |
|
C22H30O6 |
390.5 g/mol |
CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C |
TCMBANKIN047388 |
2-Nonenic acid |
|
C9H16O2 |
156.222 |
C([H])([H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C([H])/C(=O)O[H] |
TCMBANKIN047826 |
Eremophilenolide |
(4aR,9aR)-4,4a,5,6,7,8,8abeta,9-Octahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(9aH)-one |
|
234.33 g/mol |
|
TCMBANKIN048003 |
Dihydrodehydrodiconiferyl alcohol |
|
|
360.401 |
|
TCMBANKIN048031 |
22alpha-hydroxyerythrodiol |
22α-hydroxyerythrodiol |
C30H50O3 |
458.7 g/mol |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)CO)C)C)(C)C)O)C)C |
TCMBANKIN048175 |
3-acetoxy-2-hydroxy-labda-8(17),12(e),14-triene |
|
C22H34O3 |
|
|
TCMBANKIN048220 |
Fukinone |
|
C15H24O |
220.35 |
C(=C(\C([H])([H])[H])/C([H])([H])[H])(/C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]1([H])C2([H])[H])\C2=O |
TCMBANKIN048595 |
furanojaponin |
|
C20H28O3 |
316.4 g/mol |
CC=C(C)C(=O)OC1CC(C2(CC3=C(CC2C1)OC=C3C)C)C |
TCMBANKIN048692 |
6-Hydroxyeremophilide |
|
C15H22O3 |
250.333 |
C1(C([H])([H])[H])=C([C@@]([H])(O[H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@@]2([H])C3([H])[H])[C@@]3([H])OC1=O |
TCMBANKIN049552 |
S-Fukinolide |
|
C21H28O6S |
408.5 g/mol |
[C@@]12(C([H])([H])[H])[C@@]([H])([C@@]([H])(OC(C([H])([H])[H])=O)[C@]3(C(=C([H])[H])C([H])([H])OC3=O)C1([H])[H])[C@@]([H])(OC(=O)\C([H])=C(/SC([H])([H])[H])[H])C([H])([H])C([H])([H])[C@]2([H])C([H])(
[H])[H] |
TCMBANKIN049717 |
Furanoeremophilane |
|
C15H22O |
218.335 |
c12c(oc([H])c1C([H])([H])[H])C([H])([H])[C@]3([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])C2([H])[H] |
TCMBANKIN050357 |
6-Acetyl gingerol |
|
|
336.4 g/mol |
|
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 |
TCMBANKIN058172 |
OMD |
2-(2,5-dihydroxyphenyl)acetic acid; 53560_FLUKA; NSC88940; CHEBI:44747; ST5406743; 2-(2,5-dihydroxyphenyl)ethanoic acid; Homogentisinic acid; Benzeneacetic acid, 3,4-dihydroxy-, homopolymer; 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID; AIDS002960; AIDS-220865; 2,5-DHPOP; EINECS 207-192-7; (2,5-Dihydroxyphenyl)acetic acid; H0751_SIGMA; BRN 2692860; InChI=1/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12; 2,5-Dihydroxybenzeneacetic acid; 2,5-Dihydroxyphenylacetic acid polymer; NSC 88940; AIDS-002960; Acetic acid, (2,5-dihydroxyphenyl)-; 2,5-Dihydroxyphenylacetic acid; Alcapton; Benzeneacetic acid, 2,5-dihydroxy-; 451-13-8; 71694-00-3; C00544; 2,5-Dihydroxy-.alpha.-toluic acid; Homogentisate acid; Homogentisic acid; AIDS220865; 2,5-Dihydroxy-alpha-toluic acid; 4-10-00-01506 (Beilstein Handbook Reference); himigentisic acid |
C8H8O4 |
168.15 g/mol |
C1=CC(=C(C=C1O)CC(=O)O)O |
TCMBANKIN058436 |
2, 4-dihydroxy pyrimidine |
NSC3970; C00106; 16908-84-2; U3879_SIGMA; 2,4-Pyrimidinediol; 2-hydroxy-4(3H)-pyrimidinone; 66-22-8; Pirod; 144104-68-7; SQ 7726; Uracil-2-14C; 2,4-Pyrimidinedione; 4433-21-0; D00027; 24897-50-5; U0750_SIGMA; AI3-25470; 766-19-8; U1128_SIGMA; SQ 8493; ST5165192; SQ 6201; 2-hydroxy-4(1H)-pyrimidinone; 2,4-Dioxopyrimidine; 1H-pyrimidine-2,4-dione; Urazil; Pyrod; EINECS 200-621-9; Hybar X; Uracil (JAN/USAN); CHEBI:17568; 6-(3,5-Dimethylbenzyl)-5-ethyl-1-[4-(13-ethyl-17-hydroxy-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ylethynyl)benzyloxymethyl]uracil; Uracil-5-d; NCIMech_000782; AC-907/30002021; 2,4-Dihydroxypyrimidine; 42910-77-0; NSC 3970; NSC29742; ZINC00895045; STK301734; AIDS009895; Uracil (8CI); URACIL; Uracil [USAN]; 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]pyrimidine-2,4-dione; pyrimidine-2,4(1H,3H)-dione; 4433-24-3; 2,4-(1H,3H)-pyrimidinedione (9CI); CCRIS 3077; RU 12709; Ura; 2,4(1H,3H)-Pyrimidinedione; BMS 205603-01; InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8; 2,4(1H,3H)-Pyrimidinedione (9CI); NCI60_003718; 4-hydroxy-2(1H)-pyrimidinone; 2,4(1H,3H)-Pyrimidinedione, labeled with tritium; AIDS-009895 |
C4H4N2O2 |
112.09 g/mol |
C1=CNC(=O)NC1=O |
TCMBANKIN058441 |
Furfuranol |
2-Furanmethanol, homopolymer; Furfuralcohol; NCI-C56224; WLN: T5OJ B1Q; W249106_ALDRICH; UN2874; 2-Furancarbinol; 2-Hydroxymethylfuran; 2-Furfurylalkohol; FEMA No. 2491; HSDB 711; F19906_ALDRICH; 5-17-03-00338 (Beilstein Handbook Reference); furan-2-ylmethanol; (2-FURYL)-METHANOL (FURFURYLALCOHOL); NSC8843; 2-Furylmethanol; EINECS 202-626-1; 88161-36-8; 25212-86-6; .alpha.-Furylcarbinol; alpha-Furylcarbinol; Furylcarbinol; 93793-62-5; 2-Furanylmethanol; 2-Furylcarbinol; LS-2036; Furfurylcarb; 2-Furfuryl alcohol; InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H; 98-00-0; Furfuryl alcohol [UN2874] [Poison]; FURFURYL ALCOHOL; ZINC01648266; 185930_ALDRICH; 2-Furanmethanol; 5-Hydroxymethylfuran; AI3-01171; SBB004373; NSC 8843; CCRIS 2922; .alpha.-Furfuryl alcohol; BRN 0106291; Methanol, (2-furyl)-; 2-(Hydroxymethyl)furan; Furfural alcohol; 2-Furfurylalkohol [Czech]; Furylcarbinol (VAN); Furyl alcohol; NCGC00249166-01; alpha -Furfuryl alcohol; KSC234E7N; 2-Furylmethanol (ACD/Name 4.0); CHEBI:207496; DSSTox_CID_5347; Furfuryl alcohol, 98%; 2-Hydroxymethylfuran; 2-Furfurylalkohol; XPFVYQJUAUNWIW-UHFFFAOYSA-N; 5-17-03-00338 (Beilstein Handbook Reference); Furfuryl alcohol, natural, >=95%, FG; DSSTox_GSID_25347; 2-Furylmethanol; ACMC-20aiwg; alpha-Furylcarbinol; 2-Furane-methanol (furfurol); AKOS000119178; J-521401; 2-Furylcarbinol; F0076; D582054MUH; Z940713500; Epitope ID:136037; A845784; 5-Hydroxymethylfuran; I14-7268; Furfural alcohol; NCGC00256987-01; FEMA 2491; 40795-25-3; 2-Furanmethanol, homopolymer; NCI-C56224; Tox21_202102; WLN: T5OJ B1Q; DB-016149; DSSTox_RID_77760; 2-furan carbinol; Furanmethanol; FEMA No. 2491; HSDB 711; furan-2-ylmethanol; CHEBI:53371; Tox21_303093; NSC-8843; 2-furylmethan-1-ol; Furfuryl alcohol [UN2874] [Poison]; PubChem19996; I14-22235; 25212-86-6; 88161-36-8; .alpha.-Furylcarbinol; (Fur-2-yl)methanol; Furylcarbinol; 2-Furanmethanol (furfuryl alcohol); 2-Hydroxymethyl-Furan; 2-Furane-methanol; Furfurylcarb; RL06102; InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H; KB-52195; 98-00-0; Furfuryl alcohol [UN2874] [Poison]; FURFURYL ALCOHOL; ANW-75422; NSC 8843; 767-EP2377611A2; CCRIS 2922; AC1Q7C2H; UN 2874; 767-EP2305688A1; Methanol, (2-furyl)-; AC1L1OL4; BR-72801; AN-17685; CJ-26639; MolPort-000-872-013; 2-Furfurylalkohol [Czech]; ST50214441; furfuryl alcohol (furfurol); UN2874; 2-Furfurylalkohol(CZECH); CTK1D4276; TC-164167; CHEMBL308187; (2-FURYL)-METHANOL (FURFURYLALCOHOL); polyfurfuryl alcohol; alpha -Furylcarbinol; Furfuryl alcohol, analytical standard; 146235-13-4; poly(furfurylalcohol); 93793-62-5; MFCD00003252; (2-furyl)methanol; LS-2036; PFFA; MCULE-4977977402; UNII-D582054MUH; 2-hydroxymethylfurane; 2-Furanmethanol; Furfuryl alcohol, 8CI; (furan-2-yl)methanol; AI3-01171; EC 202-626-1; AK-72801; TR-030270; CAS-98-00-0; AM81811; 2-furanemethanol; BRN 0106291; formaldehyde copolymer; furylmethanol; DTXSID2025347; omega-hydroxypoly(furan-2,5-diylmethylene); alpha-Furfuryl alcohol; C20441; 2-Furfurylalcohol; 2-(Hydroxymethyl)furan; Furylcarbinol (VAN); Furyl alcohol; KS-00000X7F; Furfuralcohol; (2-furyl)-Methanol; 2-Furancarbinol; Furfuryl alcohol, >=97%, FG; Furan-2-methanol; ZINC1648266; EINECS 202-626-1; 2-Furanylmethanol; poly-furfuryl alcohol; Furan-2-yl-methanol; 2-Furfuryl alcohol; Furfuranol; F0001-2310; NCGC00259651-01; SBB004373; 767-EP2377849A2; .alpha.-Furfuryl alcohol; Qo furfuryl alcohol; TRANSGENIC LECM (FURFURYL ALCOHOL) (SEE ALSO FURFURYL ALCOHOL); Furfurylalcohol; STR01021; omega-hydroxypoly(furan-2,5-diylmethylene) macromolecule; 767-EP2377610A2; NSC8843; poly(furfuryl alcohol); fur-furyl alcohol |
C5H6O2 |
98.1 g/mol |
C1=COC(=C1)CO |
TCMBANKIN059390 |
furanoljaponin |
furanojaponin |
C20H28O3 |
316.4 g/mol |
CC=C(C)C(=O)OC1CC(C2(CC3=C(CC2C1)OC=C3C)C)C |
TCMBANKIN059421 |
(z, z)-1, 3, 11-tridecatriene-5, 7, 9-triyne |
|
C13H10 |
166.22 g/mol |
CC=CC#CC#CC#CC=CC=C |
TCMBANKIN059881 |
(+-)-car-3-ene-2,5-dione |
|
C10H12O2 |
164.2 g/mol |
CC1=CC(=O)C2C(C1=O)C2(C)C |
TCMBANKIN059983 |
β-bisabolene |
|
C15H24 |
204.35 g/mol |
CC1=CCC(CC1)C(=C)CCC=C(C)C |
TCMBANKIN060024 |
thunbergol |
|
C20H34O |
290.48 |
CC1=CCCC(C=CC(CCC(=CCC1)C)C(C)C)(C)O |
TCMBANKIN060447 |
eremofukinone |
|
C15H24O |
220.35 g/mol |
CC1CCC(=O)C2C1(CC(CC2)C(=C)C)C |
TCMBANKIN060457 |
Bakkenolide-H |
|
C23H34O6 |
406.5 g/mol |
CC1CCC(C2C1(CC3(C2OC(=O)C(C)C)C(=C)COC3=O)C)OC(=O)C(C)C |
TCMBANKIN060605 |
bakkenolide a |
|
C15H22O2 |
234.33 g/mol |
CC1CCCC2C1(CC3(C2)C(=C)COC3=O)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 |
TCMBANKIN060930 |
NONYLENE |
|
C9H18 |
126.24 g/mol |
CCCCCCCC=C |
TCMBANKIN060943 |
NONIVAMIDE |
|
C17H27NO3 |
293.4 g/mol |
CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
TCMBANKIN061013 |
Petroselic acid |
|
C18H34O2 |
282.5 g/mol |
CCCCCCCCCCCC=CCCCCC(=O)O |
TCMBANKIN061782 |
isopicropodophyllone |
isopicropodophyllone; Podophyllotoxone; picropodophyllone; Picropodophyllon; 477-49-6; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-dione; C10875; (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone; podophyllotoxone |
C22H20O8 |
412.4 g/mol |
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
TCMBANKIN061869 |
veratrole;1,2-dimethoxy-benzene;Synthol |
|
C8H10O2 |
138.16 g/mol |
COC1=CC=CC=C1OC |