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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H68O13
Molecular Weight 805.0029
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DINOPHYSISTOXIN 2

SMILES

[H][C@]1(CCC[C@@]2(OCCC[C@H]2C)O1)[C@@H](C)C[C@H](O)[C@@]3([H])O[C@]4([H])CC[C@@]5(CC[C@@H](O5)\C=C\[C@@H](C)[C@]6([H])CC(C)=C[C@@]7(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]7O)O6)O[C@@]4([H])[C@H](O)C3=C

InChI

InChIKey=BRFKTXCAUCYQBT-KIXJXINUSA-N
InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1

HIDE SMILES / InChI

Molecular Formula C44H68O13
Molecular Weight 805.0029
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
A structural basis for the reduced toxicity of dinophysistoxin-2.
2009 Nov
Okadaic acid and dinophysis toxin 2 have differential toxicological effects in hepatic cell lines inducing cell cycle arrest, at G0/G1 or G2/M with aberrant mitosis depending on the cell line.
2011 Dec
Comparative toxicological study of the novel protein phosphatase inhibitor 19-Epi-okadaic acid in primary cultures of rat cerebellar cells.
2013 Apr
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:57:15 GMT 2023
Edited
by admin
on Sat Dec 16 01:57:15 GMT 2023
Record UNII
RH78DHY1JZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DINOPHYSISTOXIN 2
Common Name English
ACANTHIFOLICIN, 9,10-DEEPITHIO-9,10-DIDEHYDRO-31-DEMETHYL-35-METHYL-, (35R)-
Common Name English
DTX-2
Common Name English
J531.104G
Code English
(35R)-9,45-SECO-10-DEMERCAPTO-9,10-DIDEHYDRO-35-METHYL-39-NORACANTHIFOLICIN
Common Name English
Classification Tree Code System Code
BAD BUG BOOK DTX 2
Code System Code Type Description
EPA CompTox
DTXSID50893702
Created by admin on Sat Dec 16 01:57:15 GMT 2023 , Edited by admin on Sat Dec 16 01:57:15 GMT 2023
PRIMARY
PUBCHEM
91800179
Created by admin on Sat Dec 16 01:57:15 GMT 2023 , Edited by admin on Sat Dec 16 01:57:15 GMT 2023
PRIMARY
CAS
139933-46-3
Created by admin on Sat Dec 16 01:57:15 GMT 2023 , Edited by admin on Sat Dec 16 01:57:15 GMT 2023
PRIMARY
FDA UNII
RH78DHY1JZ
Created by admin on Sat Dec 16 01:57:15 GMT 2023 , Edited by admin on Sat Dec 16 01:57:15 GMT 2023
PRIMARY
CHEBI
145981
Created by admin on Sat Dec 16 01:57:15 GMT 2023 , Edited by admin on Sat Dec 16 01:57:15 GMT 2023
PRIMARY
Related Record Type Details
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