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8-Hydroxy-2,4,6-octatriynoic acid; Amide

AlkaPlorer ID: AK039723

Synonym: 8-Hydroxy-2,4,6-octatriynamide, Agrocybin

IUPAC Name: 8-hydroxyocta-2,4,6-triynamide

Structure

SMILES: NC(=O)C#CC#CC#CCO

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InChI: InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)

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InChIKey: OXONWCQUZYDTNF-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 147.13299999999998

TPSA？: 63.32000000000001

MolLogP？: -1.5257999999999998

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 1588.55 nM None
Homo sapiens A498 GI50 4395.42 nM None
Homo sapiens A549 GI50 4385.31 nM None
Homo sapiens ACHN GI50 1336.6 nM None
Homo sapiens CAKI-1 GI50 1918.67 nM None
Homo sapiens CCRF-CEM GI50 843.33 nM None
Homo sapiens COLO 205 GI50 1233.1 nM None
Homo sapiens DLD-1 GI50 807.24 nM None
Homo sapiens DMS-114 GI50 2051.16 nM None
Homo sapiens DMS-273 GI50 1981.53 nM None
Homo sapiens EKVX GI50 1682.67 nM None
Homo sapiens HCC 2998 GI50 1702.16 nM None
Homo sapiens HCT-116 GI50 1276.44 nM None
Homo sapiens HCT-15 GI50 1803.02 nM None
Homo sapiens HL-60 GI50 1264.74 nM None
Homo sapiens HOP-18 GI50 1823.9 nM None
Homo sapiens HOP-62 GI50 10914.4 nM None
Homo sapiens HOP-92 GI50 2275.1 nM None
Homo sapiens HT-29 GI50 2387.81 nM None
Homo sapiens IGROV-1 GI50 2716.44 nM None
Homo sapiens K562 GI50 2037.04 nM None
Homo sapiens KM12 GI50 3311.31 nM None
Homo sapiens KM-20L2 GI50 3890.45 nM None
Homo sapiens LOX IMVI GI50 2089.3 nM None
Homo sapiens LXFL 529 GI50 1137.63 nM None
Homo sapiens M14 GI50 1976.97 nM None
Homo sapiens M19-MEL GI50 1807.17 nM None
Homo sapiens Malme-3M GI50 1958.84 nM None
Homo sapiens MOLT-4 GI50 997.7 nM None
Homo sapiens NCI-H226 GI50 11561.12 nM None
Homo sapiens NCI-H23 GI50 2118.36 nM None
Homo sapiens NCI-H322M GI50 10939.56 nM None
Homo sapiens NCI-H460 GI50 5956.62 nM None
Homo sapiens NCI-H522 GI50 149.97 nM None
Homo sapiens OVCAR-3 GI50 1901.08 nM None
Homo sapiens OVCAR-4 GI50 1832.31 nM None
Homo sapiens OVCAR-5 GI50 18923.44 nM None
Homo sapiens OVCAR-8 GI50 1807.17 nM None
Homo sapiens RPMI-8226 GI50 2046.44 nM None
Homo sapiens RXF 393 GI50 2089.3 nM None
Homo sapiens RXF 631 GI50 1811.34 nM None
Homo sapiens SF-268 GI50 2213.09 nM None
Homo sapiens SF-295 GI50 3944.57 nM None
Homo sapiens SK-MEL-2 GI50 2197.86 nM None
Homo sapiens SK-MEL-28 GI50 2142.89 nM None
Homo sapiens SK-MEL-5 GI50 1976.97 nM None
Homo sapiens SK-OV-3 GI50 12764.39 nM None
Homo sapiens SN12C GI50 1958.84 nM None
Homo sapiens SNB-19 GI50 14927.94 nM None
Homo sapiens SNB-75 GI50 1815.52 nM None
Homo sapiens SNB-78 GI50 2857.59 nM None
Homo sapiens SR GI50 2471.72 nM None
Homo sapiens SW-620 GI50 1513.56 nM None
Homo sapiens TK-10 GI50 1614.36 nM None
Homo sapiens U-251 GI50 1995.26 nM None
Homo sapiens UACC-257 GI50 2328.09 nM None
Homo sapiens UACC-62 GI50 1918.67 nM None
Homo sapiens UO-31 GI50 1945.36 nM None

Metabolism Information