Summary

IMPPAT Phytochemical identifier: IMPHY013417

Phytochemical name: 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Synonymous chemical names:
tricin and its 5-glucoside

External chemical identifiers:
CID:44258268

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Chemical structure information

SMILES:
OCC1O[C@@H](Oc2cc(O)cc3c2c(=O)cc(o3)c2cc(OC)c(c(c2)OC)O)C([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)12-7-11(26)18-13(33-12)5-10(25)6-14(18)34-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17?,20-,21+,22?,23-/m1/s1

InChIKey:
FLSOTPIEFVBPBU-YFNQFTQVSA-N

DeepSMILES:
OCCO[C@@H]OcccO)ccc6c=O)cco6)cccOC))ccc6)OC)))O)))))))))))))))C[C@H][C@@H]6O))O))O

Functional groups:
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)oc2cccc(OC3CCCCO3)c12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCC(OC3CCCCO3)C12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCC(CC3CCCCC3)C12

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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: 1.909

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Chemical structure download