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spliceostatin-A

AlkaPlorer ID: AK478154

Synonym: None

IUPAC Name: [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[2-[6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]hexanoylamino]ethoxy]-4-hydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate

Structure

SMILES: CC(=O)O[C@@H](C)/C=C\C(O)=N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(OCCN=C(O)CCCCCN=C(O)CCCCCN=C(O)CCCC[C@@H]3SC[C@@H]4N=C(O)N[C@@H]43)C[C@@]3(CO3)[C@@H]2O)O[C@@H]1C

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InChI: InChI=1S/C51H82N6O12S/c1-33(19-22-40-34(2)29-38(36(4)68-40)55-46(62)24-21-35(3)67-37(5)58)20-23-41-48(63)51(32-66-51)31-50(6,69-41)65-28-27-54-45(61)17-10-8-14-25-52-43(59)16-9-7-13-26-53-44(60)18-12-11-15-42-47-39(30-70-42)56-49(64)57-47/h19-21,23-24,34-36,38-42,47-48,63H,7-18,22,25-32H2,1-6H3,(H,52,59)(H,53,60)(H,54,61)(H,55,62)(H2,56,57,64)/b23-20+,24-21-,33-19+/t34-,35-,36+,38+,39-,40-,41+,42-,47-,48+,50-,51+/m0/s1

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InChIKey: OJDXPBWKOFNPDR-YTQOOTMVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Burkholderiaceae Burkholderiales Betaproteobacteria Pseudomonadota None Bacteria

Properties Information

Molecule Weight: 1003.3139999999996

TPSA？: 261.73

MolLogP？: 8.097500000000009

Number of H-Donors: 7

Number of H-Acceptors: 14

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens C-X-C chemokine receptor type 4 Activity None None 10.1038/nchembio.2007.18
Homo sapiens HeLa Activity None None 10.1038/nchembio.2007.18
Homo sapiens Histone deacetylase complex subunit SAP130 Activity None None 10.1038/nchembio.2007.18
Homo sapiens Histone deacetylase complex subunit SAP130/Splicing factor 3B subunit 1/Splicing factor 3B subunit 2 Activity None None 10.1038/nchembio.2007.18
Homo sapiens Splicing factor 3B subunit 2 Activity None None 10.1038/nchembio.2007.18

Metabolism Information