01
Ingredients
(6r,8r,9e)-8-methoxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-5h-cyclodeca[b]furan-4-one
C16H22O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (6r,8r,9e)-8-methoxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-5h-cyclodeca[b]furan-4-one
- Molecular Formula
- C16H22O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC(C=C(CC2=C(C(=CO2)C)C(=O)C1)C)OC
- Isomeric SMILES
- C[C@@H]1C[C@H](/C=C(/CC2=C(C(=CO2)C)C(=O)C1)\C)OC
- InChI
- InChI=1S/C16H22O3/c1-10-5-13(18-4)6-11(2)8-15-16(14(17)7-10)12(3)9-19-15/h6,9-10,13H,5,7-8H2,1-4H3/b11-6+/t10-,13-/m1/s1
- Oral Bioavailability
- 55.316
- Drug Likeness
- 0.724
- 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