Summary

IMPPAT Phytochemical identifier: IMPHY008619

Phytochemical name: Maslinic lactone

Synonymous chemical names:
maslinic lactone

External chemical identifiers:
CID:184931

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Chemical structure information

SMILES:
O[C@@H]1C[C@@]2(C)C3C([C@H]1O)(C)COC(=O)C14C(C5(CC[C@H]2[C@](CC3)(C)[C@]5(C)CC1)O)CC(CC4)(C)C

InChI:
InChI=1S/C30H48O5/c1-24(2)11-13-29-14-12-28(6)27(5)9-7-19-25(3,20(27)8-10-30(28,34)21(29)16-24)15-18(31)22(32)26(19,4)17-35-23(29)33/h18-22,31-32,34H,7-17H2,1-6H3/t18-,19?,20-,21?,22+,25+,26?,27-,28+,29?,30?/m1/s1

InChIKey:
LCZCZLBAOZHACV-QZYARCOVSA-N

DeepSMILES:
O[C@@H]C[C@@]C)CC[C@H]6O))C)COC=O)CCCCC[C@H]%12[C@]CC%14))C)[C@]6C)CC%10)))))))O))CCCC6))C)C

Functional groups:
CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2CCCC3C2CCC2C3CCC3C2CCC12CCCCC32

Scaffold Graph/Node level:
OC1OCC2CCCC3C2CCC2C3CCC3C2CCC12CCCCC32

Scaffold Graph level:
CC1CCC2CCCC3C2CCC2C3CCC3C2CCC12CCCCC32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Oleanane triterpenoids

NP-Likeness score: 2.655

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Chemical structure download