01
Ingredients
2-propen-1-one,1-(2,4-dihydroxyphenyl)-3-(4-(beta-d-glucopyranosyloxy)phenyl)-,(2e)-
C21H22O9
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-propen-1-one,1-(2,4-dihydroxyphenyl)-3-(4-(beta-d-glucopyranosyloxy)phenyl)-,(2e)-
- Molecular Formula
- C21H22O9
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Isomeric SMILES
- C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
- InChI
- InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2
- Oral Bioavailability
- 12.605
- Drug Likeness
- 0.284
- 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.