Summary

IMPPAT Phytochemical identifier: IMPHY017588

Phytochemical name: 1,10-Dihydronootkatone

Synonymous chemical names:
1,10-dihydronootkatone

External chemical identifiers:
CID:6427078

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Chemical structure information

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

InChI:
InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3

InChIKey:
NMALGKNZYKRHCE-UHFFFAOYSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2CCCCC2C1

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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.296

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Chemical structure download