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Ingredients

(4r)-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
6

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(4r)-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Molecular Formula
C13H20O2
Molecular Weight
No data
Canonical SMILES
CC1=CC(=O)CC(C1C=CC(C)O)(C)C
Isomeric SMILES
CC1=CC(=O)CC([C@H]1/C=C/[C@@H](C)O)(C)C
InChI
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+/t10-,12+/m1/s1
Oral Bioavailability
37.716
Drug Likeness
0.708
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

Direct relations and traceable candidates grouped by relation type.

Active Targets

ingredient target2 Targets
01
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
02
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1