Summary

IMPPAT Phytochemical identifier: IMPHY009111

Phytochemical name: Vitexin xyloside

Synonymous chemical names:
vitexin xyloside

External chemical identifiers:
CID:5364006

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)C1OC(COC2OC(O)C(C(C2O)O)O)C(C(C1O)O)O

InChI:
InChI=1S/C26H28O15/c27-9-3-1-8(2-4-9)13-6-12(30)15-10(28)5-11(29)16(23(15)39-13)24-20(34)18(32)17(31)14(40-24)7-38-26-22(36)19(33)21(35)25(37)41-26/h1-6,14,17-22,24-29,31-37H,7H2

InChIKey:
JPMTYZSEANLMKJ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6O)))O))COCCOCOCO)CCC6O))O))O)))))))CCC6O))O))O

Functional groups:
CO, COC, COC(C)OC(C)O, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(C3CCCC(COC4CCCCO4)O3)cccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCCC2C1CCCC(COC2CCCCO2)O1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCCC2C1CCCC(CCC2CCCCC2)C1

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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: 1.986

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Chemical structure download