Summary

IMPPAT Phytochemical identifier: IMPHY008391

Phytochemical name: Momordicoside E

Synonymous chemical names:
momordicoside e

External chemical identifiers:
CID:131751850

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Chemical structure information

SMILES:
O=CC(C1CCC2(C1(C)CCC1(C2CC=C2C1CCC(C2(C)C)OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O)C)C)C

InChI:
InChI=1S/C37H60O12/c1-18(15-38)19-11-12-37(6)24-9-7-20-21(35(24,4)13-14-36(19,37)5)8-10-25(34(20,2)3)49-33-31(45)29(43)27(41)23(48-33)17-46-32-30(44)28(42)26(40)22(16-39)47-32/h7,15,18-19,21-33,39-45H,8-14,16-17H2,1-6H3

InChIKey:
JSJMNXVHBCPZCJ-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCC5C)CCCC6CC=CC6CCCC6C)C))OCOCCOCOCCO))CCC6O))O))O)))))))CCC6O))O))O))))))))))))))C)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CC(OC3CCCC(COC4CCCCO4)O3)CCC2C2CCC3CCCC3C2C1

Scaffold Graph/Node level:
C1CCC(OCC2CCCC(OC3CCC4C(CCC5C6CCCC6CCC45)C3)O2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCC(CC3CCC4C(CCC5C6CCCC6CCC45)C3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Steroidal glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Cucurbitane triterpenoids

NP-Likeness score: 2.703

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Chemical structure download