Summary

IMPPAT Phytochemical identifier: IMPHY009526

Phytochemical name: 6-Glucosyl-luteolin

Synonymous chemical names:
6-glucosylayleuteolin

External chemical identifiers:
CID:129705295

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Chemical structure information

SMILES:
OC[C@]1(OC(O)[C@@H]([C@H]([C@@H]1O)O)O)c1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C21H20O12/c22-6-21(19(30)16(28)17(29)20(31)33-21)14-15(27)13-11(26)4-8(23)5-12(13)32-18(14)7-1-2-9(24)10(25)3-7/h1-5,16-17,19-20,22-26,28-31H,6H2/t16-,17-,19+,20?,21+/m1/s1

InChIKey:
ADNAHLNFSBQNNO-VQYKZLEVSA-N

DeepSMILES:
OC[C@]OCO)[C@@H][C@H][C@@H]6O))O))O))))ccoccc6=O))cO)ccc6)O)))))))cccccc6)O))O

Functional groups:
CO, COC(C)O, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(C2CCCCO2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1C1CCCCO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1C1CCCCC1

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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: 1.822

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Chemical structure download