Summary

IMPPAT Phytochemical identifier: IMPHY004369

Phytochemical name: Majoroside

Synonymous chemical names:
majaroside, majoroside

External chemical identifiers:
CID:5319221

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@H]2OC=C(C3C2=C(C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-10,12-14,16-22H,3-4H2,1-2H3/t7?,9-,10+,12+,13-,14+,16-,17-/m0/s1

InChIKey:
FTOKJPLQUSVDHI-KOGWUIJCSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H]OC=CCC6=CC)[C@H]C5)O)))))C=O)OC))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, COC(=O)C1=CO[C@@H](O[C@@H](C)OC)C(=C(C)C)C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=C2C(OC2CCCCO2)O1

Scaffold Graph/Node level:
C1CCC(OC2OCCC3CCCC32)OC1

Scaffold Graph level:
C1CCC(CC2CCCC3CCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.406

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Chemical structure download