01
Ingredients
3-[(e)-2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5,8a-dimethyl-2-methylene-5-methylol-decalin-1-yl]vinyl]-5h-furan-2-one
C20H28O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3-[(e)-2-[(1r,4as,5r,6r,8ar)-6-hydroxy-5,8a-dimethyl-2-methylene-5-methylol-decalin-1-yl]vinyl]-5h-furan-2-one
- Molecular Formula
- C20H28O4
- Molecular Weight
- No data
- Canonical SMILES
- CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)CO)O
- Isomeric SMILES
- C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)CO)O
- InChI
- InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1
- Oral Bioavailability
- 17.690
- Drug Likeness
- 0.616
- 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 ingredient2 Herbs