Summary

IMPPAT Phytochemical identifier: IMPHY012322

Phytochemical name: 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-

Synonymous chemical names:
2,3-dihydro-3,5-dihydroxy-6-mehyl-4h-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl 4h-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one

External chemical identifiers:
CID:119838, FDASRS:RAE1LU40SR, SureChEMBL:SCHEMBL1278394, MolPort-038-942-160

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Chemical structure information

SMILES:
OC1COC(=C(C1=O)O)C

InChI:
InChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h4,7-8H,2H2,1H3

InChIKey:
VOLMSPGWNYJHQQ-UHFFFAOYSA-N

DeepSMILES:
OCCOC=CC6=O))O))C

Functional groups:
CC1=C(O)C(=O)CCO1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=COCC1

Scaffold Graph/Node level:
OC1CCOCC1

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-Likeness score: 1.665

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Chemical structure download