Summary

IMPPAT Phytochemical identifier: IMPHY016607

Phytochemical name: Decahydronaphthalene

Synonymous chemical names:
decalin, trans-decahydronaphthalene

External chemical identifiers:
CID:7044, ChEMBL:CHEMBL1491920, ChEBI:38853, ZINC:ZINC000008585868, FDASRS:88451Q4XYF, SureChEMBL:SCHEMBL22724, MolPort-001-793-907

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Chemical structure information

SMILES:
C1CCC2C(C1)CCCC2

InChI:
InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2

InChIKey:
NNBZCPXTIHJBJL-UHFFFAOYSA-N

DeepSMILES:
CCCCCC6)CCCC6

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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: Fatty acids

NP-Likeness score: 0.367

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Chemical structure download