01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isopimpinellin
- Molecular Formula
- C13H10O5
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
- Isomeric SMILES
- COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
- InChI
- InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
- Oral Bioavailability
- 25.929
- Drug Likeness
- 0.650
- 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