Chemical Components in the PDB

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ZF1 : Summary

Code

ZF1

One-letter code

X

Molecule name

7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

Systematic names

ProgramVersionName
ACDLabs 12.01 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
OpenEye OEToolkits 1.7.6 3-(4-hydroxyphenyl)-7-oxidanyl-chromen-4-one

Formula

C15 H10 O4

Formal charge

0

Molecular weight

254.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3
SMILES CACTVS 3.370 Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O
Canonical SMILES CACTVS 3.370 Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O

IUPAC InChI

InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

IUPAC InChI key

ZQSIJRDFPHDXIC-UHFFFAOYSA-N
ZF1

wwPDB Information

Atom count

29 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-18

Last modified at

2022-01-21

Status

Released

Obsoleted

Not Assigned