Summary

IMPPAT Phytochemical identifier: IMPHY004670

Phytochemical name: Seychellene

Synonymous chemical names:
seychallene, seychellen, seychellene

External chemical identifiers:
CID:519743

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Chemical structure information

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

InChI:
InChI=1S/C15H24/c1-10-5-7-14(3)11(2)12-6-8-15(14,4)13(10)9-12/h10,12-13H,2,5-9H2,1,3-4H3

InChIKey:
QQWUXXGYAQMTAT-UHFFFAOYSA-N

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

Functional groups:
C=C(C)C

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Molecular scaffolds

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

Scaffold Graph/Node level:
CC1C2CCC3C(CCCC13)C2

Scaffold Graph level:
CC1C2CCC3C(CCCC13)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Rotundane sesquiterpenoids

NP-Likeness score: 3.152

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Chemical structure download