Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21005
- Core Entity Id
- 26532
- Source Entity Count
- 1
- Preferred Name
- Hancogenin b
- Name En
- Pubchem Id
- 127041
- Smiles Canonical
- CC12CC(C(CC1=CCC3C2CCC4=COC5(C4(C(CO5)OC3=O)O)C)O)O
- Molecular Formula
- C21H28O7
- Molecular Weight
- 392.4480
- Inchikey
- IWVQHXSRWNYBMU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H28O7/c1-19-8-16(23)15(22)7-11(19)3-5-13-14(19)6-4-12-9-26-20(2)21(12,25)17(10-27-20)28-18(13)24/h3,9,13-17,22-23,25H,4-8,10H2,1-2H3
- Isomeric Smiles
- CC12CC(C(CC1=CCC3C2CCC4=COC5(C4(C(CO5)OC3=O)O)C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1680
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hancogenin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hancogenin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hancogenin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
hancogenin b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10,11,14b-trihydroxy-2a,12a-dimethyl-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
10,11,14b-trihydroxy-2a,12a-dimethyl-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
147512-46-7
Role
alias
Source
HERB_v2
Preferred
No
Name
147512-46-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
17-Hydroxygylaucogenin A
Role
alias
Source
HERB_v2
Preferred
No
Name
17-Hydroxygylaucogenin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-2,3,5-Trioxapentaleno(1',6':5,6,7)cyclonona(1,2-a)naphthalen-6-one, 2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-10,11,14b-trihydroxy-2a,12a-dimethyl-, (2aR-(2aR*,4aR*,6aS*,10R*,11R*,12aR*,12bS*,14bS*))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-2,3,5-Trioxapentaleno(1',6':5,6,7)cyclonona(1,2-a)naphthalen-6-one, 2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-10,11,14b-trihydroxy-2a,12a-dimethyl-, (2aR-(2aR*,4aR*,6aS*,10R*,11R*,12aR*,12bS*,14bS*))-
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8,22-trihydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8,22-trihydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70933134
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70933134
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10,11,14b-trihydroxy-2a,12a-dimethyl-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-6-one147512-46-717-Hydroxygylaucogenin A6H-2,3,5-Trioxapentaleno(1',6':5,6,7)cyclonona(1,2-a)naphthalen-6-one, 2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-10,11,14b-trihydroxy-2a,12a-dimethyl-, (2aR-(2aR*,4aR*,6aS*,10R*,11R*,12aR*,12bS*,14bS*))-7,8,22-trihydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-oneDTXSID70933134
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028772
Tcmid
9211
Pub Chem
127041
Tcmbank
TCMBANKIN028457
Etcm Ingredient
Hancogenin B
Itcmdb Generated
ITX-INGREDIENT-994749338DEF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H28O7/c1-19-8-16(23)15(22)7-11(19)3-5-13-14(19)6-4-12-9-26-20(2)21(12,25)17(10-27-20)28-18(13)24/h3,9,13-17,22-23,25H,4-8,10H2,1-2H3
Mol Wt
392.4480000000001
Smiles
CC12CC(C(CC1=CCC3C2CCC4=COC5(C4(C(CO5)OC3=O)O)C)O)O
Mol Log P
1.167999999999999
In Ch Ikey
IWVQHXSRWNYBMU-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.42
Num Hacceptors
7
Isomeric Smiles
CC12CC(C(CC1=CCC3C2CCC4=COC5(C4(C(CO5)OC3=O)O)C)O)O
Canonical Smiles
CC12CC(C(CC1=CCC3C2CCC4=COC5(C4(C(CO5)OC3=O)O)C)O)O
Herb Alias Names
17-Hydroxygylaucogenin A147512-46-76H-2,3,5-Trioxapentaleno(1',6':5,6,7)cyclonona(1,2-a)naphthalen-6-one, 2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-10,11,14b-trihydroxy-2a,12a-dimethyl-, (2aR-(2aR*,4aR*,6aS*,10R*,11R*,12aR*,12bS*,14bS*))-DTXSID7093313410,11,14b-trihydroxy-2a,12a-dimethyl-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-6-one7,8,22-trihydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Molecular Weight
392.180
Molecular Weight
392.4 g/mol
Molecular Formula
C21H28O7
Molecular Formula
C21H28O7
Molecular Formula
C21H28O7
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.337
Quantitative Estimate Of Drug Likeness（Qed）
0.420