BRYOSTATIN 1

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H68O17
Molecular Weight	905.0326
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure of BRYOSTATIN 1

Structure Search

SMILES

[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]4(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]4OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2

InChI

InChIKey=MJQUEDHRCUIRLF-TVIXENOKSA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BRYOSTATIN 1

Common Name

English

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

Systematic Name

English

NSC-339555

Code

English

BRYOSTATIN-1

Common Name

English

BRYOSTATIN 1 [MI]

Common Name

English

Bryostatin 1 [WHO-DD]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

148201

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

NCI_THESAURUS

C2089

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

EU-Orphan Drug

EU/3/02/099

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

FDA ORPHAN DRUG

471415

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C1026

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

PRIMARY

CHEBI

88353

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

PRIMARY

NSC

339555

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

PRIMARY

SMS_ID

100000076884

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

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FDA UNII

37O2X55Y9E

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

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EPA CompTox

DTXSID8046876

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

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PUBCHEM

5280757

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

PRIMARY

CAS

83314-01-6

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

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MERCK INDEX

m2736

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

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Merck Index

MESH

C046785

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

PRIMARY

DRUG BANK

DB11752

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

PRIMARY

EVMPD

SUB13129MIG

Created by admin on Fri Dec 15 15:54:43 UTC 2023 , Edited by admin on Fri Dec 15 15:54:43 UTC 2023

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SUBSTANCE RECORD


					37O2X55Y9E