Summary

IMPPAT Phytochemical identifier: IMPHY013452

Phytochemical name: Myricetin 3,7,3',5'-tetramethyl ether

Synonymous chemical names:
myricetin-3,7,3',5'-tetramethyl ether

External chemical identifiers:
CID:44259713, ZINC:ZINC000014436794

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1cc(OC)c(c(c1)OC)O

InChI:
InChI=1S/C19H18O8/c1-23-10-7-11(20)15-12(8-10)27-18(19(26-4)17(15)22)9-5-13(24-2)16(21)14(6-9)25-3/h5-8,20-21H,1-4H3

InChIKey:
PXABCNYYUFHVMN-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))OC)))cccOC))ccc6)OC)))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.194

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Chemical structure download