01
Ingredients
(2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(1r,8r)-pyrrolizidin-1-yl]methyl ester
C15H27NO4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(1r,8r)-pyrrolizidin-1-yl]methyl ester
- Molecular Formula
- C15H27NO4
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O
- Isomeric SMILES
- C[C@H]([C@@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@@H]1CCC2)O)O
- InChI
- InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12+,13-,15+/m1/s1
- Oral Bioavailability
- 18.845
- Drug Likeness
- 0.731
- 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