Summary

IMPPAT Phytochemical identifier: IMPHY000388

Phytochemical name: Alboside I

Synonymous chemical names:
alboside

External chemical identifiers:
CID:100982915

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@H](C)[C@H](C3)O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)/C=C/c1ccc(c(c1)OC)O

InChI:
InChI=1S/C25H32O11/c1-12-16(28)10-14-7-8-33-24(20(12)14)36-25-23(22(31)21(30)18(11-26)34-25)35-19(29)6-4-13-3-5-15(27)17(9-13)32-2/h3-9,12,14,16,18,20-28,30-31H,10-11H2,1-2H3/b6-4+/t12-,14-,16-,18+,20+,21+,22-,23+,24-,25-/m0/s1

InChIKey:
KWGAFQKENQSNHF-LFVRPZHJSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H]OC=C[C@@H][C@H]6[C@@H]C)[C@H]C5)O))))))))))[C@@H][C@H][C@@H]6O))O))OC=O)/C=C/cccccc6)OC)))O

Functional groups:
CO, CO[C@H](C)O[C@H]1CCC=CO1, c/C=C/C(=O)OC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)OC1CCCOC1OC1OC=CC2CCCC21

Scaffold Graph/Node level:
OC(CCC1CCCCC1)OC1CCCOC1OC1OCCC2CCCC21

Scaffold Graph level:
CC(CCC1CCCCC1)CC1CCCCC1CC1CCCC2CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.432

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Chemical structure download