01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Acerogenin a
- Molecular Formula
- C19H22O3
- Molecular Weight
- No data
- Canonical SMILES
- C1CCC2=CC(=C(C=C2)O)OC3=CC=C(CCC(C1)O)C=C3
- Isomeric SMILES
- C1CCC2=CC(=C(C=C2)O)OC3=CC=C(CC[C@@H](C1)O)C=C3
- InChI
- InChI=1S/C19H22O3/c20-16-4-2-1-3-15-8-12-18(21)19(13-15)22-17-10-6-14(5-9-16)7-11-17/h6-8,10-13,16,20-21H,1-5,9H2/t16-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.766
- 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