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
- 171
- Core Entity Id
- 1687
- Source Entity Count
- 1
- Preferred Name
- 22-acetylcasterone
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C31H46O9
- Molecular Weight
- 562.3100
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
22-Acetylcasterone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
22-acetylcasterone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
22-acetylcasterone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
22-acetylcasterone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003677
Tcmid
346
Tcmbank
TCMBANKIN050122
Etcm Ingredient
22-Acetylcasterone
Itcmdb Generated
ITX-INGREDIENT-4C01233C5730
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/00346.mol2
Reference
4483
Molecular Weight
562.310
Molecular Formula
C31H46O9
Molecular Formula
C31H46O9
Molecular Formula
C31H46O9
Fda Maximum Daily Dose (Fdamdd)
0.929
Quantitative Estimate Of Drug Likeness（Qed）
0.293