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Cephalostatin 16

AlkaPlorer ID: AK004766

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@@H]1[C@H]2CC=C3[C@@H]4CC[C@H]5CC6=NC7=C(C[C@@H]8CC[C@H]9C%10=C[C@@H]%11O[C@@]%12(CC[C@](C)(O)CO%12)[C@@H](C)[C@]%11(O)[C@@]%10(C)[C@H](O)C[C@@H]9[C@@]8(C)C7)N=C6C[C@]5(C)[C@@]4(O)CC(=O)[C@@]32CO[C@]12OC(C)(C)C[C@H]2O

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InChI: InChI=1S/C54H74N2O10/c1-27-32-13-14-33-34-12-10-30-18-38-40(22-48(30,7)51(34,61)24-42(58)50(32,33)26-64-54(27)43(59)23-45(3,4)66-54)56-37-17-29-9-11-31-35(47(29,6)21-39(37)55-38)19-41(57)49(8)36(31)20-44-53(49,62)28(2)52(65-44)16-15-46(5,60)25-63-52/h14,20,27-32,34-35,41,43-44,57,59-62H,9-13,15-19,21-26H2,1-8H3/t27-,28-,29+,30+,31-,32-,34+,35+,41-,43-,44+,46+,47+,48+,49-,50-,51-,52+,53-,54+/m1/s1

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InChIKey: BTYKYELOCDEYNL-SEUYVTEWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 911.1899999999996

TPSA？: 180.92

MolLogP？: 5.648600000000007

Number of H-Donors: 5

Number of H-Acceptors: 12

RingCount: 13

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens DU-145 GI50 12.0 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens MCF7 GI50 1.1 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens NCI-H460 GI50 0.64 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens SF-268 GI50 5.2 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens Tumor Cell line GI50 1.0 nM 10.1016/0960-894X(95)00346-U
Mus musculus P388 ED50 0.001 ug ml-1 10.1016/0960-894X(95)00346-U
Mus musculus P388 ED50 1.1 nM 10.1021/np070536z
None NON-PROTEIN TARGET GI50 0.44 nM 10.1021/acs.jnatprod.5b00129
None NON-PROTEIN TARGET GI50 0.6 nM 10.1021/acs.jnatprod.5b00129

Metabolism Information