01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 4,5-dioxodehydro asimilobine
- Molecular Formula
- C17H11NO4
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=C2C3=C1C4=CC=CC=C4C=C3NC(=O)C2=O)O
- Isomeric SMILES
- COC1=C(C=C2C3=C1C4=CC=CC=C4C=C3NC(=O)C2=O)O
- InChI
- InChI=1S/C17H11NO4/c1-22-16-12(19)7-10-13-11(18-17(21)15(10)20)6-8-4-2-3-5-9(8)14(13)16/h2-7,19H,1H3,(H,18,21)
- Oral Bioavailability
- No data
- Drug Likeness
- 0.534
- 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