Summary

IMPPAT Phytochemical identifier: IMPHY003964

Phytochemical name: Lucenin-2

Synonymous chemical names:
lucenin 2, lucenin-2, luteolin-6,8-c-diglucoside

External chemical identifiers:
CID:442615, ChEBI:6553, ZINC:ZINC000004098553

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Chemical structure information

SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O

InChI:
InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13-,17-,18-,21+,22-,23-,24-,26+,27+/m1/s1

InChIKey:
ZLPSOQFIIQIIAX-JDGZUBLHSA-N

DeepSMILES:
OC[C@H]O[C@H][C@@H][C@@H][C@@H]6O))O))O))ccO)c[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))ccc6occc6=O)))cccccc6)O))O)))))))))O

Functional groups:
CO, COC, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(C3CCCCO3)cc(C3CCCCO3)cc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CC(C1CCCCO1)CC2C1CCCCO1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CC(C1CCCCC1)CC2C1CCCCC1

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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: 1.578

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Chemical structure download