Summary

IMPPAT Phytochemical identifier: IMPHY007026

Phytochemical name: Lansioside C

Synonymous chemical names:
lansioside c

External chemical identifiers:
CID:73816952

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Chemical structure information

SMILES:
OC(=O)CCC1(C)C(CCC2C(=C)CCC3C2(C)CCC(C3(C)C)OC2OCC(C(C2O)O)O)C(=CCC1C(=C)C)C

InChI:
InChI=1S/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(37)38)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)42-32-31(40)30(39)26(36)19-41-32/h9,23-28,30-32,36,39-40H,1,4,10-19H2,2-3,5-8H3,(H,37,38)

InChIKey:
ILGQYZQREAJTIJ-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCC)CCCCC=C)CCCC6C)CCCC6C)C))OCOCCCC6O))O))O)))))))))))))))))C=CCC6C=C)C)))))C

Functional groups:
C=C(C)C, CC(=O)O, CC=C(C)C, CO, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC(OC3CCCCO3)CCC2C1CCC1C=CCCC1

Scaffold Graph/Node level:
CC1CCC2CC(OC3CCCCO3)CCC2C1CCC1CCCCC1

Scaffold Graph level:
CC1CCC2CC(CC3CCCCC3)CCC2C1CCC1CCCCC1

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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: Triterpenoids

NP Classifier Class: Onocerane triterpenoids

NP-Likeness score: 2.932

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Chemical structure download