Summary

IMPPAT Phytochemical identifier: IMPHY013984

Phytochemical name: 2,4-Dihydroxy-2,5-dimethyl-3(2H)-furanone

Synonymous chemical names:
2,4-dihydroxy-2,5-dimethyl-3(2h)-furan-3-one

External chemical identifiers:
CID:538757, SureChEMBL:SCHEMBL17143362

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Chemical structure information

SMILES:
CC1=C(O)C(=O)C(O1)(C)O

InChI:
InChI=1S/C6H8O4/c1-3-4(7)5(8)6(2,9)10-3/h7,9H,1-2H3

InChIKey:
GMQUMWVEWMCMOQ-UHFFFAOYSA-N

DeepSMILES:
CC=CO)C=O)CO5)C)O

Functional groups:
CC1=C(O)C(=O)C(C)(O)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=COC1

Scaffold Graph/Node level:
OC1CCOC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Fungal cyclic polyketides (Miscellaneous)

NP-Likeness score: 1.614

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Chemical structure download