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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O3
Molecular Weight 164.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of P-COUMARIC ACID

SMILES

OC(=O)\C=C\C1=CC=C(O)C=C1

InChI

InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-N
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+

HIDE SMILES / InChI

Molecular Formula C9H8O3
Molecular Weight 164.158
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
310.0 µM [EC50]
4.89 µM [EC50]
0.98 µM [Ki]
1.07 µM [Ki]
5.23 µM [Ki]
5.33 µM [Ki]

PubMed

Substance Class Chemical
Record UNII
IBS9D1EU3J
Record Status Validated (UNII)
Record Version