01
Ingredients
(2s,3s,3ar)-3a-allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one
C20H20O5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s,3s,3ar)-3a-allyl-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one
- Molecular Formula
- C20H20O5
- Molecular Weight
- No data
- Canonical SMILES
- CC1C(OC2=CC(=O)C(=CC12CC=C)OC)C3=CC4=C(C=C3)OCO4
- Isomeric SMILES
- C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@@]12CC=C)OC)C3=CC4=C(C=C3)OCO4
- InChI
- InChI=1S/C20H20O5/c1-4-7-20-10-17(22-3)14(21)9-18(20)25-19(12(20)2)13-5-6-15-16(8-13)24-11-23-15/h4-6,8-10,12,19H,1,7,11H2,2-3H3/t12-,19+,20+/m1/s1
- Oral Bioavailability
- 3.228
- Drug Likeness
- 0.783
- 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