Summary

IMPPAT Phytochemical identifier: IMPHY016852

Phytochemical name: Naphthalene, 1,2,3,4,4a,5,6,7-octahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (1S,4aR,7R)-

Synonymous chemical names:
selina-5,11-diene

External chemical identifiers:
CID:91704179

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Chemical structure information

SMILES:
CC(=C)C1CCC2(C(=C1)C(C)CCC2)C

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

InChIKey:
MZWGOWHEHPSPES-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCC=C6)CC)CCC6)))))C

Functional groups:
C=C(C)C, CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.756

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Chemical structure download