Summary

IMPPAT Phytochemical identifier: IMPHY006317

Phytochemical name: Norseychellanon

Synonymous chemical names:
norseychelanone

External chemical identifiers:
CID:609798

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Chemical structure information

SMILES:
CC1CCC2(C3(C1CC(C2=O)CC3)C)C

InChI:
InChI=1S/C14H22O/c1-9-4-6-14(3)12(15)10-5-7-13(14,2)11(9)8-10/h9-11H,4-8H2,1-3H3

InChIKey:
OJDLRKGCSPMGQW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCC6=O))CC6)))))C))C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2CCC3C(CCCC13)C2

Scaffold Graph/Node level:
OC1C2CCC3C(CCCC13)C2

Scaffold Graph level:
CC1C2CCC3C(CCCC13)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Rotundane sesquiterpenoids

NP-Likeness score: 2.657

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Chemical structure download