01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isobonducellin
- Molecular Formula
- C17H14O4
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC=C(C=C1)C=C2COC3=C(C2=O)C=CC(=C3)O
- Isomeric SMILES
- COC1=CC=C(C=C1)/C=C\2/COC3=C(C2=O)C=CC(=C3)O
- InChI
- InChI=1S/C17H14O4/c1-20-14-5-2-11(3-6-14)8-12-10-21-16-9-13(18)4-7-15(16)17(12)19/h2-9,18H,10H2,1H3/b12-8-
- Oral Bioavailability
- No data
- Drug Likeness
- 0.860
- 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 ingredient2 Herbs