5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone

Details

• Internal ID: a0094a23-d41f-402d-ac31-4b6240217eb8
• Taxonomy: Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
• IUPAC Name: 2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one
• SMILES (Canonical): CCC1C(=C(C(=O)O1)O)C
• SMILES (Isomeric): CCC1C(=C(C(=O)O1)O)C
• InChI: InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3
• InChI Key: IUFQZPBIRYFPFD-UHFFFAOYSA-N
• Popularity: 30 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₀O₃
• Molecular Weight: 142.15 g/mol
• Exact Mass: 142.062994177 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 0.90

Synonyms

• 5-Ethyl-3-hydroxy-4-methylfuran-2(5H)-one
• 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
• 3-hydroxy-4-methyl-5-ethyl-2-furanone
• 2(5H)-FURANONE, 5-ETHYL-3-HYDROXY-4-METHYL-
• Abhexone
• maple furanone
• 2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one
• FEMA No. 3153
• Homosotolone
• Ethyl Fenugreek Lactone
• 4-Methyl-5-ethyl-3-hydroxyfuranone
• 3-hydroxy-4-methyl-5-ethyl-2(5h)-furanone
• EINECS 211-811-6
• 2-Hydroxy-3-methyl-gamma-2-hexenolactone
• UNII-J007136N0N
• 2(5H)-Furanone, 5-ethyl-3-hyroxy-4-methyl-
• maple furanone (50% in triacetin)
• 2,4-Dihydroxy-3-methyl-2-hexenoic acid gamma-lactone
• J007136N0N
• 2-Ethyl-3-methyl-4-hydroxydihydro-(2,5)-furan-5-one
• 2-Hexenoic acid, 2,4-dihydroxy-3-methyl-, gamma-lactone
• 5-ethyl-3-hydroxy-4-methyl-2,5-dihydrofuran-2-one
• 5-ETHYL-3-HYDROXY-4-METHYL-2(5H)FURANONE
• Abhekon
• Abhexon
• maple furanone (neat)
• SCHEMBL120920
• DTXSID2052441
• CHEBI:67940
• IUFQZPBIRYFPFD-UHFFFAOYSA-N
• MFCD00036673
• AKOS015906625
• CS-W011021
• DS-3985
• SB60971
• AC-14029
• LS-180022
• 5-Ethyl-4-methyl-3-hydroxy-2(5H)furanone
• E0800
• FT-0615824
• 2(5h)-furanona, 5-etil-3-hidroxi-4-metil-
• 5-ethyl-3-hydroxy-4-methyl-3H-furan-2-one
• 3-hydroxy-5-ethyl-4-methyl-2-(5H)-furanone
• D78258
• EN300-7382090
• A836657
• 5-ETHYL 3-HYDROXY 4-METHYL 2(5H)-FURANONE
• 5-ETHYL-3-HYDROXY-4-METHYL-5H-FURAN-2-ONE
• W-104584
• 2(5H)-FURANONE, 5-ETHYL-3-HYDROXY-4-METHYL
• Q27136415
• 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone, 97%, FG
• .ALPHA.-HYDROXY-.BETA.-METHYL-.GAMMA.-HEXENOLACTONE
• 5-ETHYL 3-HYDROXY 4-METHYL 2(5H)-FURANONE [FCC]
• 5-ETHYL-3-HYDROXY-4-METHYL-2(5H)-FURANONE [FHFI]
• (+/-)-5-ETHYL-3-HYDROXY-4-METHYL-2(5H)-FURANONE
• 2-Hexenoic acid, 2,4-dihydroxy-3-methyl-, .gamma.-lactone
• 5 - ethyl - 3 - hydroxy - 4 - methylfuran - 2(5H) - one
• 5-ETHYL-3-HYDROXY-4-METHYL-2(5H)-FURANONE, (+/-)-
• .ALPHA.-HYDROXY-.BETA.-METHYL-.DELTA..ALPHA.,.BETA.-.GAMMA.-HEXENOLACTONE

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	90.55%	96.95%
CHEMBL3401	O75469	Pregnane X receptor	88.42%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.11%	95.56%
CHEMBL2581	P07339	Cathepsin D	86.56%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.12%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.25%	99.23%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.72%	97.25%

Plants that contains it

• Capsella bursa-pastoris

Cross-Links

• PubChem: 61199
• NPASS: NPC116387