20428 <common-name>Bryostatin 1</common-name> <description nil="true"/> <cas>83314-01-6</cas> <pubchem-id nil="true"/> <chemical-formula>C47H68O17</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T06:01:27Z</created-at> <updated-at type="dateTime">2026-04-14T18:21:48Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB11752</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H]C(CCC)=C([H])C([H])=C([H])C(=O)O[C@@]1([H])\C(C[C@@]2([H])C[C@@]([H])(OC(=O)C[C@]([H])(O)C[C@]3([H])C[C@]([H])(OC(C)=O)C(C)(C)[C@](O)(C[C@]4([H])C\C(C[C@@]([H])(O4)\C([H])=C([H])/C(C)(C)[C@]1(O)O2)=C(/[H])C(=O)OC)O3)[C@@]([H])(C)O)=C(/[H])C(=O)OC</moldb-smiles> <moldb-formula>C47H68O17</moldb-formula> <moldb-inchi>InChI=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</moldb-inchi> <moldb-inchikey>MJQUEDHRCUIRLF-MEBWOBETSA-N</moldb-inchikey> <moldb-average-mass type="decimal">905.044</moldb-average-mass> <moldb-mono-mass type="decimal">904.44565073</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM019323</chemdb-id> <dsstox-id>DTXSID8046876</dsstox-id> <toxcast-id>46876</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00123473</susdat-id> <iupac>(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-dienoate</iupac> </compound>