Summary

IMPPAT Phytochemical identifier: IMPHY000608

Phytochemical name: Nyasicoside

Synonymous chemical names:
nyasicoside

External chemical identifiers:
CID:10648327, ZINC:ZINC000034175396, MolPort-035-706-059

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@H]([C@@H](c2ccc(c(c2)O)O)O)CC#Cc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C23H26O11/c24-10-18-20(30)21(31)22(32)23(34-18)33-17(19(29)12-5-7-14(26)16(28)9-12)3-1-2-11-4-6-13(25)15(27)8-11/h4-9,17-32H,3,10H2/t17-,18-,19-,20-,21+,22-,23-/m1/s1

InChIKey:
STEZVHWESYNLGU-XRWAXFQNSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H][C@@H]cccccc6)O))O)))))O))CC#Ccccccc6)O))O))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@H](C)OC, cC#CC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(#Cc1ccccc1)CC(Cc1ccccc1)OC1CCCCO1

Scaffold Graph/Node level:
C1CCC(CCCC(CC2CCCCC2)OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CCCC(CC2CCCCC2)CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.482

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Chemical structure download