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
- 44769
- Core Entity Id
- 87780
- Source Entity Count
- 1
- Preferred Name
- 5Α-Androstane-3Β,17Α-Diol
- Name En
- Pubchem Id
- 9857253
- Smiles Canonical
- CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O
- Molecular Formula
- C19H32O2
- Molecular Weight
- 292.5000
- Inchikey
- CBMYJHIOYJEBSB-YISWTCPOSA-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+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.2000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5Α-Androstane-3Β,17Α-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5α-Androstane-3β,17α-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21779
Tcmbank
TCMBANKIN016193
Itcmdb Generated
ITX-INGREDIENT-008E5A8AB579ITX-INGREDIENT-933F318D5FED
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
麝香
Tcm Name2
SHE XIANG
Mol2 Path
/TCM_database/2007_3d_all/01167.mol2
Reference
2, 660
Tcm Name En
Abelmusk