01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Scopoletol
- Molecular Formula
- C10H8O4
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=C2C(=C1)C=CC(=O)O2)O
- Isomeric SMILES
- COC1=C(C=C2C(=C1)C=CC(=O)O2)O
- InChI
- InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
- Oral Bioavailability
- 27.773
- Drug Likeness
- 0.695
- 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 ingredient8 Herbs