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Substance Name: Bryostatin 1
RN: 83314-01-6
UNII: 37O2X55Y9E
InChIKey: MJQUEDHRCUIRLF-TVIXENOKSA-N

Note

  • A protein kinase C activator; macrocyclic lactone from marine Bryozoan Bugula neritina; activates protein kinase c.

Molecular Formula

  • C47-H68-O17

Molecular Weight

  • 905.0372
 

Classification Codes

  • Adjuvants, Immunologic
  • Antineoplastic Agents
  • Immunologic Factors
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Bryostatin 1

Synonyms

  • (1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-25-(Acetyloxy)-1,11,21-trihydroxy-17-(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 2,4-octadienoate
  • 2,4-Octadienoic acid, 25-(acetyloxy)-1,11,21-trihydroxy-17-(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 ester, (1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-
  • BRN 4349157
  • Bryostatin 1
  • NSC 339555
  • UNII-37O2X55Y9E

Systematic Names

  • 2,4-Octadienoic acid, (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 ester, (2E,4E)-
  • Bryostatin 1

Registry Numbers

CAS Registry Number

  • 83314-01-6

FDA UNII

  • 37O2X55Y9E

System Generated Number

  • 0083314016

Structure Descriptors

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

InChIKey

MJQUEDHRCUIRLF-TVIXENOKSA-N

Smiles

CCC\C=C\C=C\C(=O)O[C@H]1\C(=C\C(=O)OC)\C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(=O)C)C(C)(C)[C@](O)(C[C@@H]4C\C(=C\C(=O)OC)\C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O