Summary

IMPPAT Phytochemical identifier: IMPHY015763

Phytochemical name: Isolongifolen-5-one

Synonymous chemical names:
isolongifolen-5-one

External chemical identifiers:
CID:600416

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Chemical structure information

SMILES:
O=C1CC2CC31C(=CCCC3(C)C)C2(C)C

InChI:
InChI=1S/C15H22O/c1-13(2)7-5-6-11-14(3,4)10-8-12(16)15(11,13)9-10/h6,10H,5,7-9H2,1-4H3

InChIKey:
HJIXDFZKWWWXSC-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5C=CCCC6C)C)))))C5C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC3=CCCCC13C2

Scaffold Graph/Node level:
OC1CC2CC3CCCCC13C2

Scaffold Graph level:
CC1CC2CC3CCCCC13C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 2.201

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Chemical structure download