Summary

IMPPAT Phytochemical identifier: IMPHY001528

Phytochemical name: Sonchuionoside A

Synonymous chemical names:
sonchuionoside a

External chemical identifiers:
CID:15628138

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC2C(O)CC(C(=C2C)/C=C/C(=O)C)(C)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)17(12(22)7-19(11,3)4)27-18-16(25)15(24)14(23)13(8-20)26-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+/t12?,13-,14-,15+,16-,17?,18+/m1/s1

InChIKey:
XSVHCRJRFKFCSN-WPOLHJTHSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCCO)CCC=C6C))/C=C/C=O)C)))))C)C))))))[C@@H][C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC(OC2CCCCO2)CCC1

Scaffold Graph/Node level:
C1CCC(OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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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: Apocarotenoids

NP Classifier Class: Megastigmanes

NP-Likeness score: 2.478

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Chemical structure download