Summary

IMPPAT Phytochemical identifier: IMPHY000392

Phytochemical name: Luteone 7-O-glucoside

Synonymous chemical names:
7-o-beta-d-glucopyranoside-luteone

External chemical identifiers:
CID:101049551

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2CC=C(C)C)O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C26H28O11/c1-11(2)3-5-14-18(36-26-25(34)24(33)23(32)20(10-27)37-26)9-19-21(22(14)31)16(30)8-17(35-19)13-6-4-12(28)7-15(13)29/h3-4,6-9,20,23-29,31-34H,5,10H2,1-2H3/t20-,23-,24+,25-,26-/m1/s1

InChIKey:
YCBKGCTYVKWOSL-DDLBMNSQSA-N

DeepSMILES:
OC[C@H]O[C@@H]Occcoccc=O)c6cc%10CC=CC)C)))))O)))))cccccc6O)))O)))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CC=C(C)C, CO, c=O, cO, 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: 2.273

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Chemical structure download