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KMP : Summary

Code

KMP

One-letter code

X

Molecule name

3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE

Synonyms

KAEMPHEROL

Systematic names

ProgramVersionName
ACDLabs 10.04 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
OpenEye OEToolkits 1.5.0 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Formula

C15 H10 O6

Formal charge

0

Molecular weight

286.236 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c3c(OC(=C1O)c2ccc(O)cc2)cc(O)cc3O
SMILES CACTVS 3.341 Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

IUPAC InChI

InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H

IUPAC InChI key

IYRMWMYZSQPJKC-UHFFFAOYSA-N
KMP

wwPDB Information

Atom count

31 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-07-19

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned