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Ingredients

(e)-3-(2,4-dimethylphenyl)acrylic acid

C11H12O2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
7

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(e)-3-(2,4-dimethylphenyl)acrylic acid
Molecular Formula
C11H12O2
Molecular Weight
No data
Canonical SMILES
CC1=CC(=C(C=C1)C=CC(=O)O)C
Isomeric SMILES
CC1=CC(=C(C=C1)/C=C/C(=O)O)C
InChI
InChI=1S/C11H12O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+
Oral Bioavailability
37.857
Drug Likeness
0.702
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 target6 Targets
05
PTGS1
prostaglandin-endoperoxide synthase 1
prostaglandin-endoperoxide synthase 1
06
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2