Summary

IMPPAT Phytochemical identifier: IMPHY013407

Phytochemical name: Vitexin 4'-O-xyloside

Synonymous chemical names:
vitexin-4'-o-xyloside

External chemical identifiers:
CID:44257763

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Chemical structure information

SMILES:
OCC1O[C@H](C([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O[C@@H]1OC[C@H](C(C1O)O)O)O

InChI:
InChI=1S/C26H28O14/c27-7-16-20(33)21(34)22(35)25(40-16)18-12(29)5-11(28)17-13(30)6-15(39-24(17)18)9-1-3-10(4-2-9)38-26-23(36)19(32)14(31)8-37-26/h1-6,14,16,19-23,25-29,31-36H,7-8H2/t14-,16?,19?,20-,21+,22?,23?,25+,26+/m1/s1

InChIKey:
QOHHHKYTTMTIHI-WARREWJZSA-N

DeepSMILES:
OCCO[C@H]C[C@H][C@@H]6O))O))O))ccO)cccc6occc6=O)))cccccc6))O[C@@H]OC[C@H]CC6O))O))O))))))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc(OC3CCCCO3)cc2)oc2c(C3CCCCO3)cccc12

Scaffold Graph/Node level:
OC1CC(C2CCC(OC3CCCCO3)CC2)OC2C1CCCC2C1CCCCO1

Scaffold Graph level:
CC1CC(C2CCC(CC3CCCCC3)CC2)CC2C1CCCC2C1CCCCC1

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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: 1.959

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Chemical structure download