Summary

IMPPAT Phytochemical identifier: IMPHY015099

Phytochemical name: Tricin 7-glucoside

Synonymous chemical names:
glucotricin, tricin-7-o-glucoside

External chemical identifiers:
CID:13984469, SureChEMBL:SCHEMBL22345059

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Chemical structure information

SMILES:
OCC1OC(Oc2cc(O)c3c(c2)oc(cc3=O)c2cc(OC)c(c(c2)OC)O)C(C(C1O)O)O

InChI:
InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3

InChIKey:
JGXFMIJHKASCIZ-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccO)ccc6)occc6=O)))cccOC))ccc6)OC)))O)))))))))))))CCC6O))O))O

Functional groups:
CO, c=O, cO, cOC, cOC(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: 1.812

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Chemical structure download