MetaADEDB 2.0 @ LMMD
51-hydroxyciguatoxin 3C
(ZTZIBNUSGFFVMD-AGCZEBLTSA-N)
Structure
SMILES
C[C@H]1C[C@H]2O[C@@]3(C)[C@H](O)C[C@@H]4[C@@H](O[C@@H]3C[C@@H]2O[C@H]2[C@H](C1)O[C@H]1[C@H](C2)O[C@H]2[C@H]([C@H]([C@@H]1C)O)O[C@]1([C@H]([C@@H]2C)C)OCC(C1)O)C/C=C\C[C@@H]1[C@@H](O4)C=CC[C@@H]2[C@@H](O1)C=C[C@@H]1[C@@H](O2)C[C@@H]2[C@@H](O1)[C@H](O)[C@@H]1[C@@H](O2)CC=CCO1
Molecular Formula:
C57H82O17
Molecular Weight:
1039.250
Log P:
4.0785
Hydrogen Bond Acceptor:
17
Hydrogen Bond Donor:
4
TPSA:
200.91
CAS Number(s):
263336-59-0
Synonym(s)
1.
51-hydroxyciguatoxin 3C
2.
51-hydroxyCTX3C
External Link(s)
MeSHC466859
PubChem Compound101175867
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Ciguatera Poisoning21351754CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120289

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.