Chemical Components in the PDB

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MYU : Summary

Code

MYU

One-letter code

X

Molecule name

3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE

Synonyms

2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE
2-(3,4-DIHYDROXYPHENYL)-4H-CHROMENE-3,5,6,7-TETRAOL
QUERCETAGETIN

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one
OpenEye OEToolkits 1.5.0 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-chromen-4-one

Formula

C15 H10 O8

Formal charge

0

Molecular weight

318.235 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2
SMILES CACTVS 3.341 Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O)c(O)cc3O2
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O
Canonical SMILES CACTVS 3.341 Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O)c(O)cc3O2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O

IUPAC InChI

InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H

IUPAC InChI key

ZVOLCUVKHLEPEV-UHFFFAOYSA-N
MYU

wwPDB Information

Atom count

33 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-07-10

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned