Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4115
- Core Entity Id
- 7761
- Source Entity Count
- 1
- Preferred Name
- 3beta-hydroxy-5alpha-androstan-17-one
- Name En
- Pubchem Id
- 441302
- Smiles Canonical
- CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
- Molecular Formula
- C19H30O2
- Molecular Weight
- 290.4470
- Inchikey
- QGXBDMJGAMFCBF-LUJOEAJASA-N
- Inchi
- InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
- Isomeric Smiles
- C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9591
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3Beta-Hydroxy-5Alpha-Androstan-17-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3beta-hydroxy-5alpha-androstan-17-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3beta-hydroxy-5alpha-androstan-17-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3beta-hydroxy-5alpha-androstan-17-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3beta-Hydroxyetioallocholan-17-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3beta-Hydroxyetioallocholan-17-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3β-hydroxy-5α-androstan-17-one
Role
alias
Source
TCMBank
Preferred
No
Name
481-29-8
Role
alias
Source
HERB_v2
Preferred
No
Name
481-29-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
5alpha-Androstan-3beta-ol-17-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5alpha-Androstan-3beta-ol-17-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Androstan-17-one, 3-hydroxy-, (3b,5a)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Androstan-17-one, 3-hydroxy-, (3b,5a)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
EPIANDROSTERONE
Role
alias
Source
HERB_v2
Preferred
No
Name
EPIANDROSTERONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoandrosterone
Role
alias
Source
HERB_v2
Preferred
No
Name
epi-andosterone
Role
alias
Source
HERB_v2
Preferred
No
Name
epi-andosterone
Role
alias
Source
itcmdb_public
Preferred
No
Name
iso-Androsterone
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-Androsterone
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-Androsterone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3beta-Hydroxyetioallocholan-17-one3β-hydroxy-5α-androstan-17-one481-29-85alpha-Androstan-3beta-ol-17-oneAndrostan-17-one, 3-hydroxy-, (3b,5a)-EPIANDROSTERONEIsoandrosteroneepi-andosteroneiso-Androsteronetrans-Androsterone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008231
Npass
NPC131892
Tcmid
311439780
Sym Map
SMIT21321
Pub Chem
441302
Tcmbank
TCMBANKIN005536
Itcmdb Generated
ITX-INGREDIENT-C93098C96082
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
Mol Wt
290.447
Smiles
CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
Mol Log P
3.959100000000003
Version
v2
In Ch Ikey
QGXBDMJGAMFCBF-LUJOEAJASA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.733
Num Hacceptors
2
Isomeric Smiles
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
Canonical Smiles
CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
Herb Alias Names
EPIANDROSTERONE481-29-8Isoandrosteronetrans-Androsteroneiso-AndrosteroneAndrostan-17-one, 3-hydroxy-, (3b,5a)-3beta-Hydroxyetioallocholan-17-oneepi-andosterone5alpha-Androstan-3beta-ol-17-one
Molecular Weight
290.4 g/mol
Molecular Formula
C19H30O2
Molecular Formula
C19H30O2
Num Rotatable Bonds
0