MYC

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

Created: 2000-10-04
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count35
Aromatic Bond Count18
2D diagram of MYC
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Chemical Component Summary

Name3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Synonyms2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; 3,3',4',5,5',7-HEXAHYDROXYFLAVONE; MYRICETIN; CANNABISCETIN
Systematic Name (OpenEye OEToolkits)3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
FormulaC15 H10 O8
Molecular Weight318.235
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O
SMILESCACTVS3.341Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
SMILESOpenEye OEToolkits1.5.0c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Canonical SMILESCACTVS3.341 Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
InChIInChI1.03 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
InChIKeyInChI1.03 IKMDFBPHZNJCSN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02375 
NameMyricetin
Groups experimental
Synonyms
  • Myricetin
  • 3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one
  • MYC
  • Myricetol
  • 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Categories
  • Benzopyrans
  • Chromones
  • Heterocyclic Compounds, Fused-Ring
  • Pyrans
CAS number529-44-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein kinase JAK1MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRL...unknown
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoformMELENYKQPVVLREDNCRRRRRMKPRSAAASLSSMELIPIEFVLPTSQRK...unknown
Multidrug resistance-associated protein 1MALRGFCSADGSDPLWDWNVTWNTSNPDFTKCFQNTVLVWVPCFYLWACF...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL164
PubChem 5281672
ChEMBL CHEMBL164
ChEBI CHEBI:18152
CCDC/CSD FIXROV, FIXROV01, NIKLAX, PILCIW, UBOSOW, NIKKUQ, NIJQUV, ANAZAT, EKOQAZ, EPIPEB, CANPEQ, JANQIC
COD 1560131