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
- 3796
- Core Entity Id
- 7408
- Source Entity Count
- 1
- Preferred Name
- 3alpha,17-dihydroxy-5beta-androstane
- Name En
- Pubchem Id
- 15818
- Smiles Canonical
- CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O
- Molecular Formula
- C19H32O2
- Molecular Weight
- 292.4630
- Inchikey
- CBMYJHIOYJEBSB-KHOSGYARSA-N
- Inchi
- InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,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]3CC[C@@H]4O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.7509
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3Alpha,17-Dihydroxy-5Beta-Androstane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3alpha,17-dihydroxy-5beta-androstane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3alpha,17-dihydroxy-5beta-androstane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1852-53-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
1852-53-5
Role
alias
Source
HERB_v2
Preferred
No
Name
3alpha,17beta-Dihydroxy-5alpha-androstane
Role
alias
Source
HERB_v2
Preferred
No
Name
3alpha,17beta-Dihydroxy-5alpha-androstane
Role
alias
Source
itcmdb_public
Preferred
No
Name
3alpha-androstanediol
Role
alias
Source
HERB_v2
Preferred
No
Name
3alpha-androstanediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5a-Androstane-3a,17b-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5a-Androstane-3a,17b-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5alpha-Androstan-3alpha,17beta-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5alpha-Androstan-3alpha,17beta-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5alpha-Androstane-3alpha,17beta-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5alpha-Androstane-3alpha,17beta-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydroandrosterone
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydroandrosterone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Etiocholane-3alpha,17beta-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
Etiocholane-3alpha,17beta-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hombreol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hombreol
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 9899
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 9899
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1852-53-53alpha,17beta-Dihydroxy-5alpha-androstane3alpha-androstanediol5a-Androstane-3a,17b-diol5alpha-Androstan-3alpha,17beta-diol5alpha-Androstane-3alpha,17beta-diolDihydroandrosteroneEtiocholane-3alpha,17beta-diolHombreolNSC 9899
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007902
Npass
NPC167995
Tcmid
25916
Sym Map
SMIT21313
Pub Chem
15818
Itcmdb Generated
ITX-INGREDIENT-1AB50B5B7447
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
Mol Wt
292.463
Mol Log P
3.750900000000003
Version
v2
In Ch Ikey
CBMYJHIOYJEBSB-KHOSGYARSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.714
Num Hacceptors
2
Isomeric Smiles
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O
Canonical Smiles
CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O
Herb Alias Names
Hombreol5alpha-Androstane-3alpha,17beta-diol1852-53-53alpha-androstanediol3alpha,17beta-Dihydroxy-5alpha-androstaneDihydroandrosterone5a-Androstane-3a,17b-diolEtiocholane-3alpha,17beta-diolNSC 98995alpha-Androstan-3alpha,17beta-diol
Molecular Formula
C19H32O2
Num Rotatable Bonds
0