01
Ingredients
(3r,4s)-3-(4-hydroxy-3-methoxy-benzyl)chroman-3,4,7-triol
C17H18O6
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3r,4s)-3-(4-hydroxy-3-methoxy-benzyl)chroman-3,4,7-triol
- Molecular Formula
- C17H18O6
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=CC(=C1)CC2(COC3=C(C2O)C=CC(=C3)O)O)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)C[C@]2(COC3=C([C@@H]2O)C=CC(=C3)O)O)O
- InChI
- InChI=1S/C17H18O6/c1-22-15-6-10(2-5-13(15)19)8-17(21)9-23-14-7-11(18)3-4-12(14)16(17)20/h2-7,16,18-21H,8-9H2,1H3/t16-,17+/m0/s1
- Oral Bioavailability
- 8.213
- Drug Likeness
- 0.684
- 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.
