Summary

IMPPAT Phytochemical identifier: IMPHY008944

Phytochemical name: Cubenene

Synonymous chemical names:
cubenene

External chemical identifiers:
CID:57357909

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Chemical structure information

SMILES:
C12C3C4C2=C2C1C3=C42

InChI:
InChI=1S/C8H4/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-3,6H

InChIKey:
KWFAQPWLROZBAY-UHFFFAOYSA-N

DeepSMILES:
CCCC4=CC6C6=C64

Functional groups:
C12=C3C4C1=C1C2C3C14

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C12=C3C4C1=C1C2C3C14

Scaffold Graph/Node level:
C12C3C4C1C1C2C3C41

Scaffold Graph level:
C12C3C4C1C1C2C3C41

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 0.484

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Chemical structure download