01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1-(1,6,8-trihydroxy-3-methyl-2-naphthyl)ethanone
- Molecular Formula
- C13H12O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O)O
- Isomeric SMILES
- CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O)O
- InChI
- InChI=1S/C13H12O4/c1-6-3-8-4-9(15)5-10(16)12(8)13(17)11(6)7(2)14/h3-5,15-17H,1-2H3
- Oral Bioavailability
- 43.289
- Drug Likeness
- 0.660
- 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 ingredient1 Herbs