01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 15
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Beta-hydroxypropiovanillone
- Molecular Formula
- C10H12O4
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=CC(=C1)C(=O)CCO)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)C(=O)CCO)O
- InChI
- InChI=1S/C10H12O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,11,13H,4-5H2,1H3
- Oral Bioavailability
- 34.954
- Drug Likeness
- 0.704
- 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 ingredient7 Herbs
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