Summary

IMPPAT Phytochemical identifier: IMPHY010715

Phytochemical name: Nobilonine

Synonymous chemical names:
nobilonine

Chemical structure information

SMILES:
CN(CC1CCC2C1(C)C(=O)C1OC(=O)C2C1C(C)C)C

InChI:
InChI=1S/C17H27NO3/c1-9(2)12-13-11-7-6-10(8-18(4)5)17(11,3)15(19)14(12)21-16(13)20/h9-14H,6-8H2,1-5H3

InChIKey:
MAEQVSBPCIMMJF-UHFFFAOYSA-N

DeepSMILES:
CNCCCCCC5C)C=O)COC=O)C7C5CC)C))))))))))))))C

Functional groups:
CC(C)=O, CN(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CC1C1CCCC1C2=O

Scaffold Graph/Node level:
OC1OC2CC1C1CCCC1C2O

Scaffold Graph level:
CC1CC2CC1C1CCCC1C2C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids, Sesquiterpenoids

NP Classifier Class: Picrotoxane sesquiterpenoids, Terpenoid alkaloids

NP-Likeness score: 2.218

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Chemical structure download