01
Ingredients
(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-4-(2,4,6-trihydroxyphenyl)chroman-3,5,7-triol
C21H18O9
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2r,3r,4s)-2-(3,4-dihydroxyphenyl)-4-(2,4,6-trihydroxyphenyl)chroman-3,5,7-triol
- Molecular Formula
- C21H18O9
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C=C4O)O)O)O)O)O
- Isomeric SMILES
- C1=CC(=C(C=C1[C@@H]2[C@@H]([C@H](C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C=C4O)O)O)O)O)O
- InChI
- InChI=1S/C21H18O9/c22-9-4-13(26)17(14(27)5-9)19-18-15(28)6-10(23)7-16(18)30-21(20(19)29)8-1-2-11(24)12(25)3-8/h1-7,19-29H/t19-,20+,21+/m0/s1
- Oral Bioavailability
- 72.409
- Drug Likeness
- 0.293
- 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
