Summary

IMPPAT Phytochemical identifier: IMPHY008020

Phytochemical name: Hypoloside A

Synonymous chemical names:
hypoloside a

External chemical identifiers:
CID:14313739, ZINC:ZINC000031430635

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1O)O)OC(=O)C

InChI:
InChI=1S/C23H34O9/c1-11-8-23(10-20(3,4)18(28)17(23)21(5,29)22(11)6-7-22)32-19-16(30-12(2)25)15(27)14(26)13(9-24)31-19/h8,13-17,19,24,26-27,29H,6-7,9-10H2,1-5H3/t13-,14-,15+,16-,17-,19+,21-,23+/m1/s1

InChIKey:
RYLFQOVBQSESBN-HOJIOWHPSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@]C=CC)C[C@][C@H]6C=O)CC9)C)C))))C)O))CC3)))))))[C@@H][C@H][C@@H]6O))O))OC=O)C

Functional groups:
CC(=O)OC, CC(C)=CC, CC(C)=O, CO, CO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(OC3CCCCO3)C=CC3(CC3)CC12

Scaffold Graph/Node level:
OC1CCC2(OC3CCCCO3)CCC3(CC3)CC12

Scaffold Graph level:
CC1CCC2(CC3CCCCC3)CCC3(CC3)CC12

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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: Sesquiterpenoids

NP Classifier Class: Illudane sesquiterpenoids

NP-Likeness score: 2.5

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Chemical structure download