01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 13
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isotrifoliol
- Molecular Formula
- C16H10O6
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=CC2=C1C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O
- Isomeric SMILES
- COC1=CC(=CC2=C1C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O
- InChI
- InChI=1S/C16H10O6/c1-20-11-5-8(18)6-12-14(11)15-13(16(19)22-12)9-3-2-7(17)4-10(9)21-15/h2-6,17-18H,1H3
- Oral Bioavailability
- 31.945
- Drug Likeness
- 0.524
- 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.