Chemical Components in the PDB

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HHF : Summary

Code

HHF

One-letter code

X

Molecule name

3,7-dihydroxy-2-phenyl-4H-chromen-4-one

Systematic names

ProgramVersionName
ACDLabs 12.01 3,7-dihydroxy-2-phenyl-4H-chromen-4-one
OpenEye OEToolkits 1.7.6 3,7-bis(oxidanyl)-2-phenyl-chromen-4-one

Formula

C15 H10 O4

Formal charge

0

Molecular weight

254.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1c3c(OC(=C1O)c2ccccc2)cc(O)cc3
SMILES CACTVS 3.370 Oc1ccc2C(=O)C(=C(Oc2c1)c3ccccc3)O
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O
Canonical SMILES CACTVS 3.370 Oc1ccc2C(=O)C(=C(Oc2c1)c3ccccc3)O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O

IUPAC InChI

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

IUPAC InChI key

UWQJWDYDYIJWKY-UHFFFAOYSA-N
HHF

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

2012-06-12

Last modified at

2013-06-28

Status

Released

Obsoleted

Not Assigned