01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 22-stigmasten-3-one
- Molecular Formula
- C29H48O
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)C(C)C
- Isomeric SMILES
- CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(=O)C4)C)C)C(C)C
- InChI
- InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-22,24-27H,7,10-18H2,1-6H3/b9-8+/t20-,21+,22?,24+,25-,26+,27+,28+,29-/m1/s1
- Oral Bioavailability
- 39.254
- Drug Likeness
- 0.417
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient1 Herbs