01
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 18
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (+)-byakangelicin
- Molecular Formula
- C17H18O7
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
- Isomeric SMILES
- CC(C)([C@@H](COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
- InChI
- InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.688
- 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.