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CHEBI:233364 - Bryostatin

Default Structure
ChEBI IDCHEBI:233364
ChEBI NameBryostatin
Stars
DefinitionBryostatin 1 is a macrocyclic lactone isolated from the bryozoan Bugula neritina with antineoplastic activity. Bryostatin 1 binds to and inhibits the cell-signaling enzyme protein kinase C, resulting in the inhibition of tumor cell proliferation, the promotion of tumor cell differentiation, and the induction of tumor cell apoptosis.
Submitterlbonaobra
DownloadsMolfile
FormulaC47H68O17
Net Charge0
Average Mass905.044
Monoisotopic Mass904.44565
SMILESCCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2CC([C@@H](C)O)OC(=O)C[C@H](O)CC3CC(OC(C)=O)C(C)(C)[C@](O)(CC4C/C(=C/C(=O)OC)C[C@H](/C=C\C(C)(C)[C@]1(O)O2)O4)O3
InChIInChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16-,30-20+,31-22+/t28-,32-,33+,34+,35?,36?,37?,38?,43+,46+,47-/m1/s1
InChIKeyMJQUEDHRCUIRLF-SKIQDHRTSA-N
ChEBI Ontology
Outgoing Relation(s)
Bryostatin (CHEBI:233364) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
[(1S,5Z,7R,8E,11S,12S,13E,15S,21R)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoateSUBMITTER
83314-01-6SUBMITTER
Bryostatin 1SUBMITTER
Registry NumbersSources
CAS:83314-01-6SUBMITTER