01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 11-o-galloyl bergenin
- Molecular Formula
- C21H20O13
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC2=O)O
- Isomeric SMILES
- COC1=C(C=C2C(=C1O)[C@@H]3[C@@H](C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC2=O)O
- InChI
- InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11?,14?,16?,18-,19-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.223
- 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.
Active Targets
ingredient target1 Targets