01
Ingredients
(1r,5r,6r,7r)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione
C20H20O5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1r,5r,6r,7r)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione
- Molecular Formula
- C20H20O5
- Molecular Weight
- No data
- Canonical SMILES
- CC1C(C2C(=O)C(=CC1(C2=O)OC)CC=C)C3=CC4=C(C=C3)OCO4
- Isomeric SMILES
- C[C@@H]1[C@H]([C@@H]2C(=O)C(=C[C@]1(C2=O)OC)CC=C)C3=CC4=C(C=C3)OCO4
- InChI
- InChI=1S/C20H20O5/c1-4-5-13-9-20(23-3)11(2)16(17(18(13)21)19(20)22)12-6-7-14-15(8-12)25-10-24-14/h4,6-9,11,16-17H,1,5,10H2,2-3H3/t11-,16+,17-,20+/m1/s1
- Oral Bioavailability
- 58.785
- Drug Likeness
- 0.623
- 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