01
Ingredients
(6s,7r,8e)-7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one
C16H20O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (6s,7r,8e)-7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one
- Molecular Formula
- C16H20O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC(=O)C2=C(CC(=C)C=CC1OC)OC=C2C
- Isomeric SMILES
- C[C@H]1CC(=O)C2=C(CC(=C)/C=C/[C@@H]1OC)OC=C2C
- InChI
- InChI=1S/C16H20O3/c1-10-5-6-14(18-4)11(2)8-13(17)16-12(3)9-19-15(16)7-10/h5-6,9,11,14H,1,7-8H2,2-4H3/b6-5+/t11-,14-/m0/s1
- Oral Bioavailability
- 36.087
- Drug Likeness
- 0.776
- 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