01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Yakuchinone a
- Molecular Formula
- C20H24O3
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=CC(=C1)CCC(=O)CCCCC2=CC=CC=C2)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)CCC(=O)CCCCC2=CC=CC=C2)O
- InChI
- InChI=1S/C20H24O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,22H,5-6,9-11,13H2,1H3
- Oral Bioavailability
- 8.197
- Drug Likeness
- 0.702
- 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.