TCMBANKIN000064 |
diosgenin |
AKOS025402315; MolPort-028-744-580; (25R)-5-Spirosten-3beta-ol; 3beta-Hydroxy-5-spirostene; nitogenin; NSC 226132; Spirost-5-en-3-ol, (3beta,25S)-; diosgenin ; AC-8024; 512-04-9; 22-epi-Yamogenin; C08898; D1634_SIGMA |
C27H42O3 |
414.62 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 |
TCMBANKIN000065 |
dioscin |
LMST01080053; C08897; 3-O-(Rhaa1-4(Rhaa1-2)Glcb)-(25R)-spirost-5-en-3beta-ol; dioscin ; 19057-60-4; Dioscin |
C45H72O16 |
869.04 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 |
TCMBANKIN002399 |
5-(1-methoxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene |
5-(1-methoxyethyl)-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol; 5-(1-methoxyethyl)2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene; AC1NSY2S |
C19H22O3 |
298.41 |
CC1=C(C(=C2C(=C1)CCC3=C2C=CC(=C3C)O)C(C)OC)O |
TCMBANKIN002667 |
allantoin |
[2,5-dioxo-imidazolidin-(4e)-ylidene]-urea; (2,5-dioxoimidazol-4-yl)urea; AKOS016004588; AJ-81964; 2AL; AX8170921; BG00903559; DTXSID00425870; KB-212680; X4187; 1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA; CTK8C1374; AC1OA9WW; SCHEMBL9203157; TC-155121; AK-55526; 2,5-DIOXO-1H-IMIDAZOL-4-YLUREA; ZINC24779397; 105245-87-2; ANW-66376 |
C4H6N4O3 |
158.12 |
C1(C(=O)NC(=O)N1)NC(=O)N |
TCMBANKIN006777 |
menthiafolin |
[5-ethenyl-4a,5-dimethyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl] (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate; AC1NSXZ4 |
C26H36O12 |
540.6 g/mol |
CC(=CCCC(C)(C=C)O)C(=O)OC1CC2C(C(OC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O)C=C |
TCMBANKIN007442 |
p-menth-4-en-3-one |
AN-19961; 5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one; 2-isopropyl-5-methyl-cyclohex-2-en-1-one; 5-methyl-2-propan-2-ylcyclohex-2-en-1-one; 2-Isopropyl-5-methyl-2-cyclohexen-1-one #; p-Menth-4-en-3-one; AC1L321A; 5-methyl-2-propan-2-yl-cyclohex-2-en-1-one; 5-methyl-2-isopropyl-2-cyclohexen1-one; SCHEMBL6360973; 2-isopropyl-5-methylcyclohex-2-enone; OAYBZGPDRAMDNF-UHFFFAOYSA-N; AC1Q6CEV; CTK1H2606; 5113-66-6; 2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)- |
C10H16O |
152.23 |
CC1CC=C(C(=O)C1)C(C)C |
TCMBANKIN009670 |
lyciumin b |
lyciumin B |
C44H52N10O11 |
896.9 g/mol |
CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(CC2=CN(C(C(=O)N1)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C6CCC(=O)N6)C7=CC=CC=C27)C(=O)O)CO |
TCMBANKIN010071 |
(5β,25s)-spirostan-3β,15α,23α-triol-3-o-d-glu-copyranosyl-(1→2)-β-d-galactopyranoside |
|
|
|
CC1CC(C2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)O)C)OC1)O |
TCMBANKIN010244 |
monocrotaline |
|
C16H23NO6 |
325.36 g/mol |
CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O |
TCMBANKIN012606 |
Dioscoreside C |
26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-23S-methoxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-[alpha-L-rhamnopyranosyl(1-4)]-beta-D-glucopyranoside; 3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-23S-methoxy-(25R)-furosta-5,20(22)-dien-3beta,26-diol; LMST01070010; dioscoreside c |
C53H88O22 |
1077.3 g/mol |
CCC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)C)O)O)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC(=C)C(CC(C)COC8C(C(C(C(O8)CO)O)O)O)OC |
TCMBANKIN013916 |
Deoxyvasicinone |
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-; 1,2,3,10-tetrahydro-pyrrolo[2,1-b]quinazolin-9-one; AC1Q1HJF; BG00602365; BBL028460; InChI=1/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H; AC1Q6FYI; ST50135008; 1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one; SCHEMBL864139; 4-hydropyrrolidino[2,1-b]quinazolin-5-one; AKOS002210198; VARHXCYGZKSOOO-UHFFFAOYSA-N; DTXSID90201049; deoxyvasicinone; W1018; STOCK1N-00997; cid_68261; Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-; MolPort-000-489-741; CHEBI:4435; 3H-Quinazolin-4-one, 2,3-trimethyleno; FCH831074; SR-01000434191; 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one\n2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one\n2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one; BDBM50244216; SMR000024071; HMS2507B03; MLS000088451; MFCD00247051; STL373117; ZINC226366; NSC 159478; AC1L29DJ; BB_NC-02943; SR-01000434191-1; CHEMBL456881; NSC159478; ZINC00226366; 4CN-1561; MCULE-8877508828; NSC-159478; 530-53-0; BB_NC-1382; C10659; 2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one; Pyrrolo[2,1-b]quinazolin-9(1H)-one,2,3-dihydro-; Desoxyvasicinon; 2,3-Trimethylene-4-quinazolone; 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one |
C11H10N2O |
186.21 |
C1CC2=NC3=CC=CC=C3C(=O)N2C1 |
TCMBANKIN018338 |
methyl pentosan |
|
|
|
|
TCMBANKIN020740 |
7-Epitaxol |
7-epitaxol |
C47H51NO14 |
853.91 |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
TCMBANKIN021102 |
phlobaphene |
|
|
|
CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3 |
TCMBANKIN021676 |
1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene |
|
C18H20O3 |
284.38 |
|
TCMBANKIN024295 |
Diosgenin palmitate |
diosgenin palmitate |
|
653.15 |
|
TCMBANKIN025270 |
araban |
|
|
|
CN(C)C(=S)SSC(=S)N(C)C |
TCMBANKIN026311 |
xylan |
bmse010022; XYLAN; Xylan,Birch; (2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentol |
C5H10O6 |
166.13 g/mol |
C1(C(C(OC(C1O)O)O)O)O |
TCMBANKIN026415 |
2-hydroxyacetylfuran |
|
C6H6O3 |
126.11 g/mol |
C1=COC(=C1)C(=O)CO |
TCMBANKIN026590 |
Diosgenin acetate |
AC1Q5X0O; diosgenin acetate |
C29H44O4 |
456.7 g/mol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)OC1 |
TCMBANKIN029405 |
mono-p-coumaroyl glyceride |
YUQSZTOOHLGKGG-ZZXKWVIFSA-N; Mono-p-coumaroyl glyceride; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)-; 1-p-Coumaroylglycerol; 1-O-trans-p-Coumaroylglycerol; 2,3-DIHYDROXYPROPYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE; AC1NSYR2; (E)-2,3-dihydroxypropyl 3-(4-hydroxyphenyl)acrylate; Glyceryl p-coumarate; 1-O-[(E)-3-(4-Hydroxyphenyl)propenoyl]glycerol; 2,3-dihydroxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
C12H14O5 |
238.24 g/mol |
C1=CC(=CC=C1C=CC(=O)OCC(CO)O)O |
TCMBANKIN030301 |
lyciumin a |
lyciumin A |
C42H51N9O12 |
873.9 g/mol |
CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(CC2=CN(C(C(=O)N1)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C5CCC(=O)N5)C6=CC=CC=C26)C(=O)O)CO |
TCMBANKIN033257 |
(2s)-5-methoxy-flavan-7-ol |
(2s)-5-methoxy flavan-7-ol |
C16H16O3 |
256.3 g/mol |
COC1=CC(=CC2=C1CCC(O2)C3=CC=CC=C3)O |
TCMBANKIN039644 |
Smitilbin |
smitilbin |
C21H22O11 |
450.39 |
CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=CC(=C4)O)O)O)O)O |
TCMBANKIN044011 |
juncunol |
|
C18H18O |
250.33 |
CC1=CC2=C(CCC3=C2C=CC(=C3C)O)C=C1C=C |
TCMBANKIN044755 |
kukoamine A |
AC1NSXD9; AKOS032945995; Kukoamine A; 3-(3,4-dihydroxyphenyl)-N-(3-{[4-({3-[3-(3,4-dihydroxyphenyl)propanamido]propyl}amino)butyl]amino}propyl)propanamide; CHEMBL79129; 3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide; ZINC13513540; FT-0686649; SCHEMBL16547596; kukoamineA; N1,N2-bis(dihydrocaffeoyl)spermine; D0R3TU; AK687047; BG01186888; C17615; 3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propionamide; 1,14-Bis(dihydrocaffeoyl)spermine; 3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]propylamino]butylamino]propyl]propanamide; CHEBI:81220; 75288-96-9; 3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydroxy-phenyl)-propionylamino]-propylamino}-butylamino)-propyl]-propionamide; BDBM50240622 |
C28H42N4O6 |
531 |
c1(O[H])c([H])c(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(C([H])([H])C([H])([H]
)c2c([H])c([H])c(O[H])c(O[H])c2[H])=O)c([H])c([H])c1O[H] |
TCMBANKIN045888 |
Norvaline |
norvaline amide; (2S)-2-aminopentanamide; ZINC2047540; 7324/6/3; UZRUKLJLGXLGDM-BYPYZUCNSA-N; AJ-33434; AC1L9L0M; L-norvalinamide; Norvalinamid; AKOS006337414; SCHEMBL2266247 |
|
117.15 g/mol |
|
TCMBANKIN047573 |
JUNCUSOL |
NSC-220968; NCI60_001834; 2,7-dihydroxy-1,6-dimethyl-5-vinyl-9,10-dihydrophenanthrene; CHEMBL38650; MolPort-044-562-377; CTK2F6656; ZINC1755832; SCHEMBL10477036; NSC 220968; 1,6-Dimethyl-5-vinyl-9,10-dihydro-phenanthrene-2,7-diol; 1,6-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol; NSC220968; 5-ethenyl-1,6-dimethyl-9,10-dihydrophenanthrene-2,7-diol; DTXSID70211080; 2, 5-ethenyl-9,10-dihydro-1,6-dimethyl-; Juncusol; AC1Q7B6D; juncusol; 62023-90-9; 2,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1,6-dimethyl-; AC1L2IKK |
C18H18O2 |
266.33 |
CC1=C(C=CC2=C1CCC3=CC(=C(C(=C32)C=C)C)O)O |
TCMBANKIN047779 |
juncunone |
1-(2,6-dihydroxy-3,5-dimethyl-9,10-dihydrophenanthren-1-yl)ethanone; AC1L714K; NSC303808; NSC-303808; JUCUNONE |
C18H18O3 |
282.3 g/mol |
CC1=CC2=C(CCC3=C2C(=C(C=C3)O)C)C(=C1O)C(=O)C |
TCMBANKIN057992 |
betaine |
Betaine; Aristolochic acid; EINECS 258-258-7; Betaine aspartate; carboxy-n,n,n-trimethylmethanaminium(3s)-3-amino-3-carboxypropanoate; TRIMETHYL GLYCINE (+)-ASPARTATE; AC1L2WMU; D07524; betaine hydrochloride; Somathl (TN); glycine betaine; (2S)-2-amino-4-hydroxy-4-oxobutanoate; carboxymethyl(trimethyl)azanium; aristolochic acid A; AC1Q5T26 |
C5H11NO2 |
117.15 g/mol |
C[N+](C)(C)CC(=O)[O-] |
TCMBANKIN058160 |
kukoamine a |
AC1NSXD9; AKOS032945995; Kukoamine A; 3-(3,4-dihydroxyphenyl)-N-(3-{[4-({3-[3-(3,4-dihydroxyphenyl)propanamido]propyl}amino)butyl]amino}propyl)propanamide; CHEMBL79129; 3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide; ZINC13513540; FT-0686649; SCHEMBL16547596; kukoamineA; N1,N2-bis(dihydrocaffeoyl)spermine; D0R3TU; AK687047; BG01186888; C17615; 3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propionamide; 1,14-Bis(dihydrocaffeoyl)spermine; 3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]propylamino]butylamino]propyl]propanamide; CHEBI:81220; 75288-96-9; 3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydroxy-phenyl)-propionylamino]-propylamino}-butylamino)-propyl]-propionamide; BDBM50240622 |
C28H42N4O6 |
530.66 |
C1=CC(=C(C=C1CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)O)O)O)O |
TCMBANKIN059253 |
Hexahydro-farnesyl acetone |
hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE |
C18H36O |
268.5 g/mol |
CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
TCMBANKIN060237 |
Smitilbin |
|
C21H22O11 |
450.39 |
CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=CC(=C4)O)O)O)O)O |
TCMBANKIN060491 |
EINECS 213-897-0 |
|
C29H44O4 |
456.7 g/mol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)OC1 |
TCMBANKIN060492 |
diosgenin-3-O-β-D-glucopyranoside) |
|
C33H52O8 |
576.76 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1 |
TCMBANKIN060497 |
dioscin |
|
C45H72O16 |
869.04 |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 |
TCMBANKIN060643 |
2,5-epoxy-5,10-dihydroxy-6-angeloyloxy-9-(2r-methylbutyryloxy)-germacran-8,12-olide |
|
C25H36O9 |
|
CCC(C)C(=O)OC1C2C(C(C3(C(CC(O3)CC1(C)O)C)O)OC(=O)C(=CC)C)C(=C)C(=O)O2 |
TCMBANKIN061005 |
TRIDECANONE |
|
C13H26O |
198.34g/mol |
CCCCCCCCCCCC(=O)C |