Summary

IMPPAT Phytochemical identifier: IMPHY004728

Phytochemical name: Tricin 7-glucuronide

Synonymous chemical names:
7-o-diglucuronoside-4,5,7-trihydroxy-3,5-dimethoxyflavone

External chemical identifiers:
CID:44258271

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Chemical structure information

SMILES:
COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1OC(C(=O)O)[C@H]([C@@H](C1O)O)O

InChI:
InChI=1S/C23H22O13/c1-32-14-3-8(4-15(33-2)17(14)26)12-7-11(25)16-10(24)5-9(6-13(16)35-12)34-23-20(29)18(27)19(28)21(36-23)22(30)31/h3-7,18-21,23-24,26-29H,1-2H3,(H,30,31)/t18-,19-,20?,21?,23+/m0/s1

InChIKey:
HJWFFBNADKDQPV-GHZYCHRDSA-N

DeepSMILES:
COcccccc6O))OC))))ccc=O)cco6)cccc6O)))O[C@@H]OCC=O)O))[C@H][C@@H]C6O))O))O

Functional groups:
CC(=O)O, 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: 1.632

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Chemical structure download