Summary

IMPPAT Phytochemical identifier: IMPHY002207

Phytochemical name: Momordicoside L

Synonymous chemical names:
7-o-β-d-glucopyranoside of 3β, 7β, 25-trihydroxy-cucurbita-5,23-dien-19-al (momordicoside l), momordicoside l

External chemical identifiers:
CID:101743788, ChEBI:176265, ZINC:ZINC000067903367, MolPort-039-338-778

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@H]2C=C3[C@H]([C@]4([C@@H]2[C@]2(C)CC[C@@H]([C@@]2(C)CC4)[C@@H](C/C=C/C(O)(C)C)C)C=O)CC[C@@H](C3(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C36H58O9/c1-20(9-8-13-32(2,3)43)21-12-14-35(7)30-24(44-31-29(42)28(41)27(40)25(18-37)45-31)17-23-22(10-11-26(39)33(23,4)5)36(30,19-38)16-15-34(21,35)6/h8,13,17,19-22,24-31,37,39-43H,9-12,14-16,18H2,1-7H3/b13-8+/t20-,21-,22-,24+,25-,26+,27-,28+,29-,30+,31-,34-,35+,36-/m1/s1

InChIKey:
BOHOBTRHAFBJOW-MLFDEFIASA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@H]C=C[C@H][C@][C@@H]6[C@]C)CC[C@@H][C@@]5C)CC9)))[C@@H]C/C=C/CO)C)C)))))C)))))))C=O)))CC[C@@H]C6C)C))O)))))))))[C@@H][C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCC3CCCC3C2C1OC1CCCCO1

Scaffold Graph/Node level:
C1CCC(OC2CC3CCCCC3C3CCC4CCCC4C23)OC1

Scaffold Graph level:
C1CCC(CC2CC3CCCCC3C3CCC4CCCC4C23)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: Cucurbitacins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Cucurbitane triterpenoids

NP-Likeness score: 3.339

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Chemical structure download