IngredientID 65533
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol,Stigmasta-5,22-diene-3beta,7alpha-diol
C29H48O2
Relationship Network
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Herb: 2Ingredient: 1Links: 2
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65533
- Core Entity Id
- 128182
- Source Entity Count
- 1
- Preferred Name
- (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol,Stigmasta-5,22-diene-3beta,7alpha-diol
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C29H48O2
- Molecular Weight
- 428.3700
- 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
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol,Stigmasta-5,22-diene-3beta,7alpha-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol,Stigmasta-5,22-diene-3beta,7alpha-diol
Itcmdb Generated
ITX-INGREDIENT-FA61F61C5FEB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
428.370
Molecular Formula
C29H48O2
Fda Maximum Daily Dose (Fdamdd)
0.663
Quantitative Estimate Of Drug Likeness（Qed）
0.474