Summary

IMPPAT Phytochemical identifier: IMPHY016348

Phytochemical name: 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-7alpha-isopropyl-4abeta,8abeta-dimethyl-

Synonymous chemical names:
2(1h)-naphthalenone,4a,5,6,7,8,8a-hexahydro-7.alpha.-isopropyl-4a.beta.,8a.beta.-dimethyl-

External chemical identifiers:
CID:549685

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Chemical structure information

SMILES:
O=C1C=CC2(C(C1)(C)CC(CC2)C(C)C)C

InChI:
InChI=1S/C15H24O/c1-11(2)12-5-7-14(3)8-6-13(16)10-15(14,4)9-12/h6,8,11-12H,5,7,9-10H2,1-4H3

InChIKey:
ZAASYBLGJDURHX-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCCC6)C)CCCC6))CC)C)))))C

Functional groups:
CC=CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CCCCC2C1

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: 2.278

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Chemical structure download