Summary

IMPPAT Phytochemical identifier: IMPHY016169

Phytochemical name: 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene

Synonymous chemical names:
1,2,3,4,4a,5,6,8a-octahydronaphthalene

External chemical identifiers:
CID:565677, SureChEMBL:SCHEMBL726263

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Chemical structure information

SMILES:
C1CCC2C(C1)C=CCC2

InChI:
InChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1,5,9-10H,2-4,6-8H2

InChIKey:
FYHNWJNOEQBNGO-UHFFFAOYSA-N

DeepSMILES:
CCCCCC6)C=CCC6

Functional groups:
CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 1.509

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Chemical structure download