01
Ingredients
8-[[(2s)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxy-coumarin
C15H16O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 8-[[(2s)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxy-coumarin
- Molecular Formula
- C15H16O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C
- Isomeric SMILES
- CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C
- InChI
- InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3
- Oral Bioavailability
- 26.027
- Drug Likeness
- 0.628
- 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