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Cephalostatin 7

AlkaPlorer ID: AK008239

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@@H]1[C@]2([C@@H](C[C@@](O2)(C)CO)O)O[C@@H]3[C@]1([C@]4([C@@H](C[C@H]5[C@H](C4=C3)CC[C@@H]6[C@@]5(CC7=NC8=C(C[C@]9([C@H](C8)CC[C@@H]1[C@@H]9C[C@H]([C@]2(C1=C[C@H]1[C@@]2(C[C@]2(O1)CC[C@](CO2)(C)O)O)C)O)C)N=C7C6)C)O)C)O

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InChI: InChI=1S/C53H74N2O11/c1-26-52(62)43(65-53(26)41(59)22-45(3,24-56)66-53)19-34-30-11-9-28-15-36-38(21-47(28,5)32(30)17-40(58)49(34,52)7)55-35-14-27-8-10-29-31(46(27,4)20-37(35)54-36)16-39(57)48(6)33(29)18-42-51(48,61)23-50(64-42)13-12-44(2,60)25-63-50/h18-19,26-32,39-43,56-62H,8-17,20-25H2,1-7H3/t26-,27-,28-,29+,30+,31-,32-,39+,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53-/m0/s1

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InChIKey: MQQWDJVBMQSXMK-NTTLTFHJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 915.178

TPSA？: 204.31

MolLogP？: 4.165200000000006

Number of H-Donors: 7

Number of H-Acceptors: 13

RingCount: 13

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A498 ED50 0.00055 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens A498 GI50 31.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens A549 ED50 3e-05 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens A549 GI50 138.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens CCRF-CEM GI50 0.1 nM 10.1021/np070536z
Homo sapiens DMS-273 GI50 0.1 nM 10.1021/np070536z
Homo sapiens DU-145 GI50 470.0 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens HL-60 GI50 0.1 nM 10.1021/np070536z
Homo sapiens HL-60 GI50 25.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens Homo sapiens ED50 0.052 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens Homo sapiens ED50 38.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens HOP-62 GI50 0.1 nM 10.1021/np070536z
Homo sapiens HT-29 ED50 30.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens HT-29 GI50 271.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens IGROV-1 GI50 480.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens LOX IMVI GI50 37.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens MCF7 GI50 27.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens MCF7 GI50 50.0 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens NCI-H460 GI50 8.2 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens Panel NCI-60 (60 carcinoma cell lines) GI50 50.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens PC-3 ED50 0.0021 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens PC-3 GI50 23.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens RXF 393 GI50 0.1 nM 10.1021/np070536z
Homo sapiens RXF 393 GI50 7.9 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens SF-268 GI50 110.0 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens SF-295 GI50 0.1 nM 10.1021/np070536z
Homo sapiens SF-295 GI50 11.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens U-251 GI50 0.1 nM 10.1021/np070536z
Mus musculus P388 ED50 0.0001 nM 10.1016/s0960-894x(99)00430-8
Mus musculus P388 GI50 0.1 nM 10.1021/np070536z
None NCI GI50 16.0 nM 10.1016/s0960-894x(99)00430-8
None NON-PROTEIN TARGET ED50 0.41 nM 10.1016/s0960-894x(99)00430-8
None NON-PROTEIN TARGET GI50 0.1 nM 10.1021/np070536z
None NON-PROTEIN TARGET GI50 5.0 nM 10.1021/acs.jnatprod.5b00129
None NON-PROTEIN TARGET GI50 48.0 nM 10.1021/acs.jnatprod.5b00129

Metabolism Information