Summary

IMPPAT Phytochemical identifier: IMPHY015681

Phytochemical name: 2-Hydroxycyclopentadecanone

Synonymous chemical names:
2-hydroxycyclopentadecanone, exaltoin

External chemical identifiers:
CID:543400, SureChEMBL:SCHEMBL2864371

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Chemical structure information

SMILES:
OC1CCCCCCCCCCCCCC1=O

InChI:
InChI=1S/C15H28O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)17/h14,16H,1-13H2

InChIKey:
UCPNHIPCCLLQGA-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCC%15=O

Functional groups:
CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCCCCCCCC1

Scaffold Graph/Node level:
OC1CCCCCCCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.574

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Chemical structure download