01
Ingredients
(3s,3ar,8ar)-3,8a-dihydroxy-5-isopropylidene-3,8-dimethyl-1,2,3a,4-tetrahydroazulen-6-one
C15H22O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3s,3ar,8ar)-3,8a-dihydroxy-5-isopropylidene-3,8-dimethyl-1,2,3a,4-tetrahydroazulen-6-one
- Molecular Formula
- C15H22O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC(=O)C(=C(C)C)CC2C1(CCC2(C)O)O
- Isomeric SMILES
- CC1=CC(=O)C(=C(C)C)C[C@H]2[C@@]1(CC[C@]2(C)O)O
- InChI
- InChI=1S/C15H22O3/c1-9(2)11-8-13-14(4,17)5-6-15(13,18)10(3)7-12(11)16/h7,13,17-18H,5-6,8H2,1-4H3/t13-,14+,15+/m1/s1
- Oral Bioavailability
- 38.700
- Drug Likeness
- 0.648
- 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.
Active Targets
ingredient target5 Targets
02
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1
03
04
PTPN1
protein tyrosine phosphatase non-receptor type 1
protein tyrosine phosphatase non-receptor type 1
05
PTPN2
protein tyrosine phosphatase non-receptor type 2
protein tyrosine phosphatase non-receptor type 2