01
Ingredients
(8s,9s,10r,11r,13s,14s,17e)-17-ethylidene-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
C21H28O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (8s,9s,10r,11r,13s,14s,17e)-17-ethylidene-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
- Molecular Formula
- C21H28O3
- Molecular Weight
- No data
- Canonical SMILES
- CC=C1C(=O)CC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
- Isomeric SMILES
- C/C=C\1/C(=O)C[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
- InChI
- InChI=1S/C21H28O3/c1-4-15-17(23)10-16-14-6-5-12-9-13(22)7-8-20(12,2)19(14)18(24)11-21(15,16)3/h4,9,14,16,18-19,24H,5-8,10-11H2,1-3H3/b15-4-/t14-,16-,18+,19+,20-,21+/m0/s1
- Oral Bioavailability
- 12.340
- Drug Likeness
- 0.691
- 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