Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006822

Phytochemical name: 2''-O-xylosylvitexin

Synonymous chemical names:
2''-o-xylosylvitexin, 2'-o-xylosyl-vitexin

External chemical identifiers:
CID:CID_11972300

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Chemical structure information

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

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

InChIKey:
MPUWFKYDUGBWJT-GFKNYKFMSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(C3OCCCC3OC3CCCCO3)cccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCCC2C1OCCCC1OC1CCCCO1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCCC2C1CCCCC1CC1CCCCC1

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Chemical classification

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.111

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Chemical structure download