01
Ingredients
(3s,3'r,4'r,9s,9as)-4'-hydroxy-3'-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
C18H27NO5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3s,3'r,4'r,9s,9as)-4'-hydroxy-3'-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
- Molecular Formula
- C18H27NO5
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC(OC1=O)C2CCC3N2CCCCC34C(C(C(=O)O4)C)O
- Isomeric SMILES
- C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCCC[C@@]34[C@@H]([C@H](C(=O)O4)C)O
- InChI
- InChI=1S/C18H27NO5/c1-10-9-13(23-16(10)21)12-5-6-14-18(7-3-4-8-19(12)14)15(20)11(2)17(22)24-18/h10-15,20H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,18-/m0/s1
- Oral Bioavailability
- 85.518
- Drug Likeness
- 0.726
- 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
