para-coumaric acid   

GtoPdb Ligand ID: 5787

Synonyms: hydroxycinnamic acid | p-coumaric acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.53
Molecular weight 164.05
XLogP 1.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C=Cc1ccc(cc1)O
Isomeric SMILES OC(=O)/C=C/c1ccc(cc1)O
InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChI Key NGSWKAQJJWESNS-ZZXKWVIFSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Synonyms
hydroxycinnamic acid | p-coumaric acid
Database Links
CAS Registry No. 501-98-4
ChEBI CHEBI:32374
ChEMBL Ligand CHEMBL66879
GtoPdb PubChem SID 178102412
PubChem CID 637542
RCSB PDB Ligand HC4
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Wikipedia P-Coumaric acid