Summary

IMPPAT Phytochemical identifier: IMPHY013444

Phytochemical name: Isorhamnetin 5-glucoside

Synonymous chemical names:
isorhamnetin -5-glucoside

External chemical identifiers:
CID:44259378

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Chemical structure information

SMILES:
CCC1O[C@@H](Oc2cc(O)cc3c2c(=O)c(c(o3)c2ccc(c(c2)OC)O)O)C([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C23H24O11/c1-3-12-17(26)19(28)21(30)23(33-12)34-15-8-10(24)7-14-16(15)18(27)20(29)22(32-14)9-4-5-11(25)13(6-9)31-2/h4-8,12,17,19,21,23-26,28-30H,3H2,1-2H3/t12?,17-,19+,21?,23+/m1/s1

InChIKey:
KOMHZTUOBVVDPX-JDVMTWNBSA-N

DeepSMILES:
CCCO[C@@H]OcccO)ccc6c=O)cco6)cccccc6)OC)))O))))))O))))))))))C[C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cccc(OC3CCCCO3)c12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCC(OC3CCCCO3)C12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCC(CC3CCCCC3)C12

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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: 2.019

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Chemical structure download