Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

MYC : Summary

Code

MYC

One-letter code

X

Molecule name

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

Synonyms

2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE
3,3',4',5,5',7-HEXAHYDROXYFLAVONE
MYRICETIN
CANNABISCETIN

Systematic names

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

Formula

C15 H10 O8

Formal charge

0

Molecular weight

318.235 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O
SMILES CACTVS 3.341 Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Canonical SMILES CACTVS 3.341 Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

IUPAC InChI

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

IUPAC InChI key

IKMDFBPHZNJCSN-UHFFFAOYSA-N
MYC

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

2000-10-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned