01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Xanthanoic acid
- Molecular Formula
- C14H10O3
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O
- Isomeric SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O
- InChI
- InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)
- Oral Bioavailability
- 48.073
- Drug Likeness
- 0.813
- 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