Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018065

Phytochemical name: 2-Oxetanone, 4-(2,6,8-trimethyl-1,5-nonadienyl)-

Synonymous chemical names:
2-Oxetanone, 4-(2,6,8-trimethyl-1,5-nonadienyl)-

External chemical identifiers:
CID:CID_5374651

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Chemical structure information

SMILES:
CC(C/C(=C/CC/C(=C/C1CC(=O)O1)/C)/C)C

InChI:
InChI=1S/C15H24O2/c1-11(2)8-12(3)6-5-7-13(4)9-14-10-15(16)17-14/h6,9,11,14H,5,7-8,10H2,1-4H3/b12-6+,13-9+

InChIKey:
ORDKFPCMUNXMSK-IWFZMGPQSA-N

DeepSMILES:
CCC/C=C/CC/C=C/CCC=O)O4)))))/C)))))/C)))C

Functional groups:
C/C=C(/C)C, O=C1CCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCO1

Scaffold Graph/Node level:
OC1CCO1

Scaffold Graph level:
CC1CCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Beta propiolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.395

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Chemical structure download