PD-156707   

GtoPdb Ligand ID: 999

Synonyms: PD 156707 | PD156707
Compound class: Synthetic organic
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1)C(=O)C(=C(c1ccc2c(c1)OCO2)C(=O)[O-])Cc1cc(OC)c(c(c1)OC)OC.[Na+]
Isomeric SMILES COc1ccc(cc1)C(=O)/C(=C(/c1ccc2c(c1)OCO2)\C(=O)[O-])/Cc1cc(OC)c(c(c1)OC)OC.[Na+]
InChI InChI=1S/C28H26O9.Na/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21;/h5-10,12-14H,11,15H2,1-4H3,(H,30,31);/q;+1/p-1/b25-20-;
InChI Key ZLHQEGFYBMZQGM-RKVLWQGQSA-M
Classification
Compound class Synthetic organic
IUPAC Name
sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate
Synonyms
PD 156707 | PD156707
Database Links
CAS Registry No. 162412-70-6 (source: Scifinder)
ChEMBL Ligand CHEMBL25438
GtoPdb PubChem SID 135650799
PubChem CID 23670447
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