01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Auraptene
- Molecular Formula
- C19H22O3
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C
- Isomeric SMILES
- CC(=CCC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)C
- InChI
- InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
- Oral Bioavailability
- 25.624
- Drug Likeness
- 0.564
- 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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