01
Ingredients
1-[(5r,8r,9s,10s,12r,13s,14s,17s)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
C21H34O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1-[(5r,8r,9s,10s,12r,13s,14s,17s)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
- Molecular Formula
- C21H34O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)C1CCC2C1(C(CC3C2CCC4C3(CCCC4)C)O)C
- Isomeric SMILES
- CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)O)C
- InChI
- InChI=1S/C21H34O2/c1-13(22)16-9-10-17-15-8-7-14-6-4-5-11-20(14,2)18(15)12-19(23)21(16,17)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19-,20+,21-/m1/s1
- Oral Bioavailability
- 33.474
- Drug Likeness
- 0.767
- 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
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Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient1 Herbs