IngredientID 68331
3β-(3-Hydroxybutyroxy)-16α-hydroxy-5α,17β-cholestan-21-carboxylic acid
C31H52O6
Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68331
- Core Entity Id
- 130980
- Source Entity Count
- 1
- Preferred Name
- 3β-(3-Hydroxybutyroxy)-16α-hydroxy-5α,17β-cholestan-21-carboxylic acid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C31H52O6
- Molecular Weight
- 520.3800
- 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
3β-(3-Hydroxybutyroxy)-16α-hydroxy-5α,17β-cholestan-21-carboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3β-(3-Hydroxybutyroxy)-16α-hydroxy-5α,17β-cholestan-21-carboxylic acid
Itcmdb Generated
ITX-INGREDIENT-D8DBFF7B13C1
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
520.380
Molecular Formula
C31H52O6
Fda Maximum Daily Dose (Fdamdd)
0.811
Quantitative Estimate Of Drug Likeness（Qed）
0.331