Chemical Components in the PDB

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KMC : Summary

Code

KMC

One-letter code

X

Molecule name

galangin

Synonyms

3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one

Formula

C15 H10 O5

Formal charge

0

Molecular weight

270.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Canonical SMILES CACTVS 3.385 Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

IUPAC InChI

InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

IUPAC InChI key

VCCRNZQBSJXYJD-UHFFFAOYSA-N
KMC

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-05-31

Last modified at

2022-08-22

Status

Released

Obsoleted

Not Assigned