ciguatoxin 3C
(BFXGFCYTZARNGN-XHDDPMCTSA-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)CCCO1)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:
- C57H82O16
- Molecular Weight:
- 1023.250
- Log P:
- 5.1077
- Hydrogen Bond Acceptor:
- 16
- Hydrogen Bond Donor:
- 3
- TPSA:
- 180.68
- CAS Number(s):
- 148471-85-6
Synonym(s)
1.
ciguatoxin 3C
2.
ciguatoxin CTX3C
External Link(s)
| MeSH | C466858 |
| PubChem Compound | 6442245 |
| KEGG | cpd:C20001 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Ciguatera Poisoning | 21351754 | CTD |
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.