Summary

IMPPAT Phytochemical identifier: IMPHY013162

Phytochemical name: Olivil 4'-O-glucoside

Synonymous chemical names:
olivil-4'-o-glucoside

External chemical identifiers:
CID:14033815, ZINC:ZINC000038143574, MolPort-001-741-077

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Chemical structure information

SMILES:
OC[C@@H]1[C@H](OC[C@]1(O)Cc1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)OC)O

InChI:
InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3/t15-,20-,21-,22+,23-,24-,25-,26-/m1/s1

InChIKey:
SXGSYHDLSPXCMU-CTQTXEDXSA-N

DeepSMILES:
OC[C@@H][C@H]OC[C@]5O)Ccccccc6)OC)))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O))))))))))))))cccccc6)OC)))O

Functional groups:
CO, COC, cO, cOC, cO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CC(Cc3ccc(OC4CCCCO4)cc3)CO2)cc1

Scaffold Graph/Node level:
C1CCC(C2CC(CC3CCC(OC4CCCCO4)CC3)CO2)CC1

Scaffold Graph level:
C1CCC(CC2CCC(CC3CCC(C4CCCCC4)C3)CC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Lignan glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Furanoid lignans

NP-Likeness score: 1.762

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Chemical structure download