ITCMDBv1
IngredientID 10336

Euphol

C30H50O

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Herb: 12Ingredient: 1Target: 5Links: 17
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
10336
Core Entity Id
14650
Source Entity Count
1
Preferred Name
Euphol
Name En
Pubchem Id
122860
Smiles Canonical
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H]) C2([H])[H])[C@]23C([H])([H])[H])=C3C([H])([H])C4([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
Molecular Formula
C30H50O
Molecular Weight
426.7290
Inchikey
CAHGCLMLTWQZNJ-WZLOIPHISA-N
Inchi
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1
Isomeric Smiles
C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Cas Id
514-47-6
Ob Score
42.1190
Mol Logp
8.4791
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
4
Drug Likeness
0.4470
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Euphadienol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Α-Euphol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Alpha-euphol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alpha-euphol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Euphadienol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Euphadienol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Euphadienol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Euphol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Euphol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
euphadienol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Α-Euphol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
α-Euphol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
α-Euphol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
甘遂
Role
TCM_name
Source
TCMBank
Preferred
No
Name
细叶大戟;甘遂;火秧簕;霸王鞭
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAN SUI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
XI YE DA JI;GAN SUI;HUO YANG LE;BA WANG BIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kansui Euphorbia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Narrowleaf Euphorbia;Kansui Euphorbia ;Ancients Euphorbia;Royle Euphorbia Latex
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Euphol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Euphol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-alpha-Euphol
Role
alias
Source
TCMBank
Preferred
No
Name
(20R)-(+)-triucalla-8,24-diene-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(20R)-(+)-triucalla-8,24-diene-3beta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(20R)-(+)-triucalla-8,24-diene-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,5R,10S,13S,14S)-17-((R)-1,5-Dimethyl-hex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,5R,10S,13S,14S,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3beta,13alpha,14beta,17alpha)-Lanosta-8,24-dien-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(s)-euphol
Role
alias
Source
TCMBank
Preferred
No
Name
13alpha,14beta,17betaH-Lanosta-8,24-dien-3beta-ol (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
514-47-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
514-47-6
Role
alias
Source
HERB_v2
Preferred
No
Name
514-47-6
Role
alias
Source
TCMBank
Preferred
No
Name
5alpha-Eupha-8,24-dien-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
5alpha-Eupha-8,24-dien-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
7162AB
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L9BGD
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-064689
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-48007
Role
alias
Source
TCMBank
Preferred
No
Name
AK120346
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS016010616
Role
alias
Source
TCMBank
Preferred
No
Name
BG01135940
Role
alias
Source
TCMBank
Preferred
No
Name
C08624
Role
alias
Source
TCMBank
Preferred
No
Name
C30H50O
Role
alias
Source
HERB_v2
Preferred
No
Name
C30H50O
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:4940
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:4940
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:4940
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL465181
Role
alias
Source
TCMBank
Preferred
No
Name
Eupha-8,24-dienol
Role
alias
Source
HERB_v2
Preferred
No
Name
Eupha-8,24-dienol
Role
alias
Source
TCMBank
Preferred
No
Name
Eupha-8,24-dienol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Euphadienol
Role
alias
Source
HERB_v2
Preferred
No
Name
Euphadienol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Euphadienol
Role
alias
Source
TCMBank
Preferred
No
Name
Euphol (6CI)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Euphol (6CI)
Role
alias
Source
HERB_v2
Preferred
No
Name
Euphol (6CI)
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0698509
Role
alias
Source
TCMBank
Preferred
No
Name
KB-277032
Role
alias
Source
TCMBank
Preferred
No
Name
LMPR0106090002
Role
alias
Source
TCMBank
Preferred
No
Name
Lanosta-8,24-dien-3-ol, (3.beta.,13.alpha.,14.beta.,17.alpha.)-
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL541497
Role
alias
Source
TCMBank
Preferred
No
Name
ST24047202
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC4097719
Role
alias
Source
TCMBank
Preferred
No
Name
euphol
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

EuphadienolΑ-EupholAlpha-euphol甘遂细叶大戟;甘遂;火秧簕;霸王鞭GAN SUIXI YE DA JI;GAN SUI;HUO YANG LE;BA WANG BIANKansui EuphorbiaNarrowleaf Euphorbia;Kansui Euphorbia ;Ancients Euphorbia;Royle Euphorbia Latex(+)-Euphol(+)-alpha-Euphol(20R)-(+)-triucalla-8,24-diene-3beta-ol(3S,5R,10S,13S,14S)-17-((R)-1,5-Dimethyl-hex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol(3S,5R,10S,13S,14S,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol(3beta,13alpha,14beta,17alpha)-Lanosta-8,24-dien-3-ol(s)-euphol13alpha,14beta,17betaH-Lanosta-8,24-dien-3beta-ol (8CI)514-47-65alpha-Eupha-8,24-dien-3beta-ol7162ABAC1L9BGDAIDS-064689AJ-48007AK120346AKOS016010616BG01135940C08624C30H50OCHEBI:4940CHEMBL465181Eupha-8,24-dienolEuphol (6CI)FT-0698509KB-277032LMPR0106090002Lanosta-8,24-dien-3-ol, (3.beta.,13.alpha.,14.beta.,17.alpha.)-SCHEMBL541497ST24047202ZINC4097719

Cross References

Trusted external identifiers retained for this final record.

Cas
514-47-6
Herb
HBIN015511HBIN026162HBIN026184
Npass
NPC46160
Tcmid
2488676107611
Tcmsp
MOL002597
Sym Map
SMIT02332SMIT04810SMIT15360SMIT15361
Tcm Id
4425
Pub Chem
122860138113753441678856
Tcmbank
TCMBANKIN000383TCMBANKIN016308TCMBANKIN027159TCMBANKIN051287
Etcm Ingredient
Eupholα-Euphol
Itcmdb Generated
ITX-INGREDIENT-6B3BD9517FA5ITX-INGREDIENT-9F1FECF4E90BITX-INGREDIENT-CD9C52A708B7ITX-INGREDIENT-CEA4F46FCA4A

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1
Mol Wt
426.7290000000002
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H]) C2([H])[H])[C@]23C([H])([H])[H])=C3C([H])([H])C4([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
Mol Log P
8.479100000000006
Version
v1,v2
In Ch Ikey
CAHGCLMLTWQZNJ-WZLOIPHISA-N
Ob Score
42.11942.1191889742.119189
Suppress
01
Tcm Name
甘遂细叶大戟;甘遂;火秧簕;霸王鞭
Tcm Name2
GAN SUIXI YE DA JI;GAN SUI;HUO YANG LE;BA WANG BIAN
Mol2 Path
/TCM_database/2003_3d_all/3012.mol2/TCM_database/2007_3d_all/07612.mol2
Reference
46906, 1812, 1813, 4606
Num Hdonors
1
Tcm Name En
Kansui EuphorbiaNarrowleaf Euphorbia;Kansui Euphorbia ;Ancients Euphorbia;Royle Euphorbia Latex
Drug Likeness
0.447
Num Hacceptors
1
Isomeric Smiles
C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Molecule Weight
426.8
Canonical Smiles
CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
Herb Alias Names
EupholEuphadienol514-47-6(+)-EupholCHEBI:4940C30H50OEupha-8,24-dienol(20R)-(+)-triucalla-8,24-diene-3beta-ol5alpha-Eupha-8,24-dien-3beta-olEuphol (6CI)
Molecular Weight
426.390
Molecular Weight
426.7 g/mol426.72
Molecule Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Num Rotatable Bonds
4
Link Ingredient Id
4810.0
Fda Maximum Daily Dose (Fdamdd)
0.7340.812
Quantitative Estimate Of Drug Likeness（Qed）
0.447