Summary

IMPPAT Phytochemical identifier: IMPHY016193

Phytochemical name: Naphthalene, decahydro-1,5-dimethyl-

Synonymous chemical names:
1,5-naphthalene decahydrodimethyl

External chemical identifiers:
CID:565746, SureChEMBL:SCHEMBL18886008

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Chemical structure information

SMILES:
CC1CCCC2C1CCCC2C

InChI:
InChI=1S/C12H22/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h9-12H,3-8H2,1-2H3

InChIKey:
FLBCYSDGVKDEEA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCCC6C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

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: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 0.798

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Chemical structure download