Summary

IMPPAT Phytochemical identifier: IMPHY016970

Phytochemical name: 3-Methylcyclopentadecanone

Synonymous chemical names:
muscone

External chemical identifiers:
CID:10947, FDASRS:5JO79R7S9R, SureChEMBL:SCHEMBL230871, MolPort-002-498-075

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Chemical structure information

SMILES:
CC1CCCCCCCCCCCCC(=O)C1

InChI:
InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3

InChIKey:
ALHUZKCOMYUFRB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=O)C%15

Functional groups:
CC(C)=O

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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: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.504

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Chemical structure download