01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (+)-epiexcelsin
- Molecular Formula
- C22H22O8
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC6=C(C(=C5)OC)OCO6
- Isomeric SMILES
- COC1=CC(=CC2=C1OCO2)[C@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC6=C(C(=C5)OC)OCO6
- InChI
- InChI=1S/C22H22O8/c1-23-15-3-11(5-17-21(15)29-9-27-17)19-13-7-26-20(14(13)8-25-19)12-4-16(24-2)22-18(6-12)28-10-30-22/h3-6,13-14,19-20H,7-10H2,1-2H3/t13-,14-,19-,20+/m0/s1
- Oral Bioavailability
- 4.873
- Drug Likeness
- 0.755
- 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