Summary

IMPPAT Phytochemical identifier: IMPHY013427

Phytochemical name: Pectolinarigenin 7-rhamnoside

Synonymous chemical names:
pectolinarigenin 7-rhamnoside, pectolinarigenin and its 7-rhamnoside

External chemical identifiers:
CID:44258438

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Chemical structure information

SMILES:
COc1c(O[C@@H]2OC(C)[C@@H]([C@@H](C2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC

InChI:
InChI=1S/C23H24O10/c1-10-18(25)20(27)21(28)23(31-10)33-16-9-15-17(19(26)22(16)30-3)13(24)8-14(32-15)11-4-6-12(29-2)7-5-11/h4-10,18,20-21,23,25-28H,1-3H3/t10?,18-,20-,21?,23-/m0/s1

InChIKey:
WKCLNKNXMSVMEW-CVQWCXGPSA-N

DeepSMILES:
COccO[C@@H]OCC)[C@@H][C@@H]C6O))O))O))))))cccc6O))c=O)cco6)cccccc6))OC

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)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: Flavones

NP-Likeness score: 1.745

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Chemical structure download