01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-oxostenine
- Molecular Formula
- C17H25NO3
- Molecular Weight
- No data
- Canonical SMILES
- CCC1C2CCCCN3C2C(CC3=O)C4C1OC(=O)C4C
- Isomeric SMILES
- CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](CC3=O)[C@@H]4[C@H]1OC(=O)[C@H]4C
- InChI
- InChI=1S/C17H25NO3/c1-3-10-11-6-4-5-7-18-13(19)8-12(15(11)18)14-9(2)17(20)21-16(10)14/h9-12,14-16H,3-8H2,1-2H3/t9-,10+,11+,12+,14+,15+,16-/m0/s1
- Oral Bioavailability
- 72.941
- Drug Likeness
- 0.696
- 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