Summary

IMPPAT Phytochemical identifier: IMPHY016469

Phytochemical name: 2(1H)Naphthalenone, 3,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-

Synonymous chemical names:
6-isopropenyl-4,8a-dimethyl-3,5,6,7,8,8a-hexahydro-2(1h)-naphthalenone

External chemical identifiers:
CID:612605

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Chemical structure information

SMILES:
O=C1CC(=C2C(C1)(C)CCC(C2)C(=C)C)C

InChI:
InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h12H,1,5-9H2,2-4H3

InChIKey:
QCKGKVKLMOUFSZ-UHFFFAOYSA-N

DeepSMILES:
O=CCC=CCC6)C)CCCC6)C=C)C)))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC=C2CCCCC2C1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 2.428

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Chemical structure download