MetaADEDB 2.0 @ LMMD
dinophysistoxin 2
(BRFKTXCAUCYQBT-KIXJXINUSA-N)
Structure
SMILES
CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@@H]1CCC[C@]3(O1)OCCC[C@H]3C)C)O)C)O[C@@H](CC[C@H]2O)C[C@](C(=O)O)(O)C
Molecular Formula:
C44H68O13
Molecular Weight:
805.003
Log P:
5.2136
Hydrogen Bond Acceptor:
13
Hydrogen Bond Donor:
5
TPSA:
182.83
CAS Number(s):
139933-46-3
Synonym(s)
1.
dinophysistoxin 2
2.
DTX-2
3.
DTX2
4.
dinophysistoxin-2
External Link(s)
MeSHC076221
PubChem Compound91800179
ChEBI145981
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Nerve Degeneration23335626CTD
2Shellfish Poisoning19916524
21512803
CTD
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