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name Structure Reference Source Properties Activities Metabolism

1-[(5r)-5-[(2s)-butan-2-yl]-2,4-dihydroxy-5h-pyrrol-3-yl]ethanone

AlkaPlorer ID: AK006771

Synonym: 'MLS000863644', 'Tenuazonic acid', 'MLSMR', 'SMR000440730', '1-(2R)-2-(2S)-butan-2-yl-3,5-dihydroxy-2H-pyrrol-4-ylethan-1-one'

IUPAC Name: (2R)-4-acetyl-2-[(2S)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one

Structure

SMILES: CC[C@H](C)[C@H]1NC(=O)C(C(C)=O)=C1O

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InChI: InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)/t5-,8+/m0/s1

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InChIKey: CEIZFXOZIQNICU-YLWLKBPMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Pleosporaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 197.234

TPSA？: 66.4

MolLogP？: 0.9320000000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 98627.95 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 52239.62 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens DLD-1 GI50 70307.23 nM None
Homo sapiens DMS-114 GI50 76736.15 nM None
Homo sapiens DMS-273 GI50 100000.0 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens HCC 2998 GI50 53951.06 nM None
Homo sapiens HCT-116 GI50 51880.0 nM None
Homo sapiens HCT-15 GI50 79799.47 nM None
Homo sapiens HL-60 GI50 99770.01 nM None
Homo sapiens HOP-18 GI50 58076.44 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 96382.9 nM None
Homo sapiens KM-20L2 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 62373.48 nM None
Homo sapiens LXFL 529 GI50 66527.32 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens M19-MEL GI50 71285.3 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 79983.43 nM None
Homo sapiens NCI-H522 GI50 88511.56 nM None
Homo sapiens OVCAR-3 GI50 72945.75 nM None
Homo sapiens OVCAR-4 GI50 95940.06 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 23280.91 nM None
Homo sapiens RXF 631 GI50 92469.82 nM None
Homo sapiens SF-268 GI50 55207.74 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 95279.62 nM None
Homo sapiens SK-MEL-28 GI50 63973.48 nM None
Homo sapiens SK-MEL-5 GI50 98855.31 nM None
Homo sapiens SN12C GI50 83560.3 nM None
Homo sapiens SNB-19 GI50 78342.96 nM None
Homo sapiens SNB-75 GI50 91201.08 nM None
Homo sapiens SNB-78 GI50 100000.0 nM None
Homo sapiens SR GI50 58344.51 nM None
Homo sapiens SW-620 GI50 21379.62 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 52722.99 nM None
Homo sapiens UACC-257 GI50 51641.64 nM None
Homo sapiens UACC-62 GI50 97498.96 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Homo sapiens XF498 GI50 100000.0 nM None
Human gammaherpesvirus 4 Human gammaherpesvirus 4 Inhibition -5.0 % 10.1021/acs.jnatprod.2c00783
Mus musculus BV-2 Inhibition 41.1 % 10.1021/acs.jnatprod.2c00783

Metabolism Information