Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017313

Phytochemical name: 1-Hydroxydecan-3-one

Synonymous chemical names:
methyllavender ketone

External chemical identifiers:
CID:CID_105510, SureChEMBL:SCHEMBL1278378

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Chemical structure information

SMILES:
CCCCCCCC(=O)CCO

InChI:
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10(12)8-9-11/h11H,2-9H2,1H3

InChIKey:
XDFCZUMLNOYOCH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)CCO

Functional groups:
CC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.213

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Chemical structure download