01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Sinapine
- Molecular Formula
- C16H24NO5+
- Molecular Weight
- No data
- Canonical SMILES
- C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC
- Isomeric SMILES
- C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
- InChI
- InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
- Oral Bioavailability
- 1.212
- Drug Likeness
- 0.471
- 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.