Summary

IMPPAT Phytochemical identifier: IMPHY015808

Phytochemical name: Massoia lactone

Synonymous chemical names:
massoia lactone

External chemical identifiers:
CID:39914, ChEMBL:CHEMBL1991946, SureChEMBL:SCHEMBL1686964, MolPort-004-964-213

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Chemical structure information

SMILES:
CCCCCC1CC=CC(=O)O1

InChI:
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3

InChIKey:
NEDIAPMWNCQWNW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=CC=O)O6

Functional groups:
O=C1C=CCCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCO1

Scaffold Graph/Node level:
OC1CCCCO1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: 2-pyrone derivatives

NP-Likeness score: 2.55

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Chemical structure download