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Alkaloid K4; (S)-form, Me ether 

AlkaPlorer ID: AK283862

Synonym: Allocolchicine, Suhailamine, Alkaloid K3

IUPAC Name: methyl 8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate

Structure

SMILES: COC(=O)C1=CC=C2C(=C1)C(N=C(C)O)CCC1=CC(OC)=C(OC)C(OC)=C12

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InChI: InChI=1S/C22H25NO6/c1-12(24)23-17-9-7-13-11-18(26-2)20(27-3)21(28-4)19(13)15-8-6-14(10-16(15)17)22(25)29-5/h6,8,10-11,17H,7,9H2,1-5H3,(H,23,24)

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InChIKey: NMKUAEKKJQYLHK-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 399.4430000000002

TPSA？: 86.58000000000001

MolLogP？: 4.129700000000003

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 15.0 nM None
Homo sapiens A498 GI50 13.3 nM None
Homo sapiens A549 GI50 18.03 nM None
Homo sapiens ACHN GI50 17.99 nM None
Homo sapiens Ataxin-2 Potency 946.6 nM None
Homo sapiens BT-549 GI50 103.99 nM None
Homo sapiens CAKI-1 GI50 17.66 nM None
Homo sapiens CCRF-CEM GI50 13.34 nM None
Homo sapiens COLO 205 GI50 11.86 nM None
Homo sapiens DLD-1 GI50 17.26 nM None
Homo sapiens DMS-114 GI50 12.59 nM None
Homo sapiens DMS-273 GI50 10.0 nM None
Homo sapiens DU-145 GI50 13.96 nM None
Homo sapiens EKVX GI50 4187.94 nM None
Homo sapiens Geminin Potency 92.0 nM None
Homo sapiens Geminin Potency 115.8 nM None
Homo sapiens HCC 2998 GI50 32.66 nM None
Homo sapiens HCT-116 GI50 11.38 nM None
Homo sapiens HCT-15 GI50 36.56 nM None
Homo sapiens HEK293 Potency 446.7 nM None
Homo sapiens HL-60 GI50 13.58 nM None
Homo sapiens HOP-18 GI50 40364.54 nM None
Homo sapiens HOP-62 GI50 15.81 nM None
Homo sapiens HOP-92 GI50 39.08 nM None
Homo sapiens Hs-578T GI50 12.16 nM None
Homo sapiens HT-29 GI50 12.5 nM None
Homo sapiens IGROV-1 GI50 16.29 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 6.5 nM None
Homo sapiens K562 GI50 12.85 nM None
Homo sapiens KM12 GI50 11.53 nM None
Homo sapiens KM-20L2 GI50 11.78 nM None
Homo sapiens LOX IMVI GI50 14.89 nM None
Homo sapiens LXFL 529 GI50 15.42 nM None
Homo sapiens M14 GI50 15.31 nM None
Homo sapiens M19-MEL GI50 23.5 nM None
Homo sapiens Malme-3M GI50 15.03 nM None
Homo sapiens MCF7 GI50 61.24 nM None
Homo sapiens MDA-MB-231 GI50 20.0 nM None
Homo sapiens MDA-MB-435 GI50 10.0 nM None
Homo sapiens MDA-N GI50 11.27 nM None
Homo sapiens MOLT-4 GI50 15.1 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 398.1 nM None
Homo sapiens NCI/ADR-RES GI50 41.59 nM None
Homo sapiens NCI-H226 GI50 42.36 nM None
Homo sapiens NCI-H23 GI50 13.55 nM None
Homo sapiens NCI-H322M GI50 19.82 nM None
Homo sapiens NCI-H460 GI50 25.88 nM None
Homo sapiens NCI-H522 GI50 18.03 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 259.3 nM None
Homo sapiens OVCAR-3 GI50 11.64 nM None
Homo sapiens OVCAR-4 GI50 11939.88 nM None
Homo sapiens OVCAR-5 GI50 111.69 nM None
Homo sapiens OVCAR-8 GI50 15.45 nM None
Homo sapiens PC-3 GI50 12.74 nM None
Homo sapiens RPMI-8226 GI50 15.14 nM None
Homo sapiens RXF 393 GI50 13.87 nM None
Homo sapiens RXF 631 GI50 13.96 nM None
Homo sapiens SF-268 GI50 13.9 nM None
Homo sapiens SF-295 GI50 11.72 nM None
Homo sapiens SF-539 GI50 12.42 nM None
Homo sapiens SK-MEL-2 GI50 20.75 nM None
Homo sapiens SK-MEL-28 GI50 26.49 nM None
Homo sapiens SK-MEL-5 GI50 13.0 nM None
Homo sapiens SK-OV-3 GI50 18.84 nM None
Homo sapiens SN12C GI50 22.34 nM None
Homo sapiens SNB-19 GI50 18.32 nM None
Homo sapiens SNB-75 GI50 12.88 nM None
Homo sapiens SNB-78 GI50 15.21 nM None
Homo sapiens SR GI50 12.33 nM None
Homo sapiens SW-620 GI50 12.88 nM None
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens TK-10 GI50 16865.53 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20.6 nM None
Homo sapiens U-251 GI50 11.69 nM None
Homo sapiens UACC-257 GI50 529.66 nM None
Homo sapiens UACC-62 GI50 13.12 nM None
Homo sapiens UO-31 GI50 72.11 nM None
Homo sapiens XF498 GI50 59.98 nM None
Sus scrofa Tubulin alpha chain IC50 1412.54 nM 10.1021/jm990333a
None Unchecked Potency 9.2 nM None
None Unchecked Potency 199.5 nM None
None Unchecked Potency 70794.6 nM None

Metabolism Information