Summary

IMPPAT Phytochemical identifier: IMPHY008893

Phytochemical name: Myricetin 7-glucoside

Synonymous chemical names:
myricetin-7-glucoside

External chemical identifiers:
CID:44259443

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Chemical structure information

SMILES:
OCC1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2cc(O)c(c(c2)O)O)C([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)32-7-3-8(23)13-11(4-7)33-20(18(30)16(13)28)6-1-9(24)14(26)10(25)2-6/h1-4,12,15,17,19,21-27,29-31H,5H2/t12?,15-,17-,19?,21+/m0/s1

InChIKey:
VYUFSOYMUGOSGK-PZRHNIAXSA-N

DeepSMILES:
OCCO[C@@H]OcccO)ccc6)occc6=O))O))cccO)ccc6)O))O)))))))))))))C[C@H][C@H]6O))O))O

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 2.079

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Chemical structure download