01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1'-acetoxychavicol acetate
- Molecular Formula
- C13H14O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C
- Isomeric SMILES
- CC(=O)OC1=CC=C(C=C1)[C@H](C=C)OC(=O)C
- InChI
- InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.456
- 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