01
Ingredients
(5r,6s,9s)-9-isopropenyl-3-isopropylidene-6-methyl-1-oxaspiro[4.4]nonan-2-one
C15H22O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (5r,6s,9s)-9-isopropenyl-3-isopropylidene-6-methyl-1-oxaspiro[4.4]nonan-2-one
- Molecular Formula
- C15H22O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC(C12CC(=C(C)C)C(=O)O2)C(=C)C
- Isomeric SMILES
- C[C@H]1CC[C@H]([C@@]12CC(=C(C)C)C(=O)O2)C(=C)C
- InChI
- InChI=1S/C15H22O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h11,13H,3,6-8H2,1-2,4-5H3/t11-,13-,15+/m0/s1
- Oral Bioavailability
- 84.242
- Drug Likeness
- 0.393
- 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