01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Inflacoumarin a
- Molecular Formula
- C20H18O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCC1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=C(C=C3)O)C
- Isomeric SMILES
- CC(=CCC1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=C(C=C3)O)C
- InChI
- InChI=1S/C20H18O4/c1-12(2)3-4-14-9-17-16(13-5-7-15(21)8-6-13)10-20(23)24-19(17)11-18(14)22/h3,5-11,21-22H,4H2,1-2H3
- Oral Bioavailability
- 39.709
- Drug Likeness
- 0.554
- 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.
Active Targets
ingredient target8 Targets
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