01
Ingredients
(8r,9s,10r,11r,13s,14s,15s,17e)-17-ethylidene-11,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
C21H28O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (8r,9s,10r,11r,13s,14s,15s,17e)-17-ethylidene-11,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
- Molecular Formula
- C21H28O4
- Molecular Weight
- No data
- Canonical SMILES
- CC=C1C(=O)C(C2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
- Isomeric SMILES
- C/C=C\1/C(=O)[C@H]([C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
- InChI
- InChI=1S/C21H28O4/c1-4-14-18(24)19(25)17-13-6-5-11-9-12(22)7-8-20(11,2)16(13)15(23)10-21(14,17)3/h4,9,13,15-17,19,23,25H,5-8,10H2,1-3H3/b14-4-/t13-,15-,16-,17-,19+,20+,21-/m1/s1
- Oral Bioavailability
- 23.357
- Drug Likeness
- 0.663
- 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