(2E, 2'E)-1,1'-[4,6-DIHYDROXY-1,3-PHENYLENE]BIS(3-(3-METHOXYPHENYL)PROP-2-EN-1-ONE)

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZUUHRTRXDUHIDR-WGDLNXRISA-N
Smiles COc1cccc(\C=C\C(=O)c2cc(C(=O)\C=C\c3cccc(OC)c3)c(O)cc2O)c1
InChI
InChI=1S/C26H22O6/c1-31-19-7-3-5-17(13-19)9-11-23(27)21-15-22(26(30)16-25(21)29)24(28)12-10-18-6-4-8-20(14-18)32-2/h3-16,29-30H,1-2H3/b11-9+,12-10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H22O6
Molecular Weight 430.45
AlogP 5.06
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 93.06
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 32.0

Cross References

Resources Reference
ChEMBL CHEMBL1928923
PubChem 56971457
CONTENTS