Summary

IMPPAT Phytochemical identifier: IMPHY013413

Phytochemical name: Luteolin 7,4'-diglucoside

Synonymous chemical names:
luteolin-7,4'-diglucoside

External chemical identifiers:
CID:44258093

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Chemical structure information

SMILES:
OC[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O[C@@H]2OC(CO)[C@H](C(C2O)O)O)C(C([C@@H]1O)O)O

InChI:
InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-15(40-16(19)5-10)9-1-2-14(11(30)3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18?,20+,21+,22?,23?,24?,25?,26+,27+/m0/s1

InChIKey:
CFVDPAXOTMTQCU-DYVOXHERSA-N

DeepSMILES:
OC[C@@H]O[C@@H]OcccO)ccc6)occc6=O)))cccccc6)O))O[C@@H]OCCO))[C@H]CC6O))O))O))))))))))))))))))CC[C@@H]6O))O))O

Functional groups:
CO, 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)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCC(OC3CCCCO3)CC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCC(CC3CCCCC3)CC2)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: 1.491

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Chemical structure download