01
Ingredients
(2s)-1-[[(3r,3as,6ar,9ar,9bs)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[5,4-d]furan-3-yl]methyl]proline
C20H27NO4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s)-1-[[(3r,3as,6ar,9ar,9bs)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[5,4-d]furan-3-yl]methyl]proline
- Molecular Formula
- C20H27NO4
- Molecular Weight
- No data
- Canonical SMILES
- C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CN4CCCC4C(=O)O
- Isomeric SMILES
- C=C1CC[C@H]2[C@@H](C(=O)O[C@@H]2[C@@H]3[C@H]1CCC3=C)CN4CCC[C@H]4C(=O)O
- InChI
- InChI=1S/C20H27NO4/c1-11-5-8-14-15(10-21-9-3-4-16(21)19(22)23)20(24)25-18(14)17-12(2)6-7-13(11)17/h13-18H,1-10H2,(H,22,23)/t13-,14-,15-,16-,17-,18-/m0/s1
- Oral Bioavailability
- 20.903
- Drug Likeness
- 0.629
- 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 ingredient2 Herbs
