nodularin
(IXBQSRWSVIBXNC-HSKGSTCASA-N)
Structure
- SMILES
- CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)/C(=C/C)/N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C(=O)O)\C)C)Cc1ccccc1
- Molecular Formula:
- C41H60N8O10
- Molecular Weight:
- 824.963
- Log P:
- 3.6266
- Hydrogen Bond Acceptor:
- 18
- Hydrogen Bond Donor:
- 8
- TPSA:
- 284.94
- CAS Number(s):
- 118399-22-7
Synonym(s)
1.
nodularin
2.
cyclo((2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-d-gamma-glutamyl-(2Z)-2-(methylamino)-2-butenoyl-(3S)-3-methyl-d-beta-aspartyl-L-arginyl)
3.
nodularin R
4.
nodularin-R
External Link(s)
| MeSH | C063998 |
| PubChem Compound | 14217092 |
| BindingDB | 50061066 |
| ChEBI | 80043 |
| CHEMBL | CHEMBL108308 |
| KEGG | cpd:C15713 |
| ZINC | 85600024 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chemical and Drug Induced Liver Injury | 21262250 | CTD | |
| 2 | Micronuclei, Chromosome-Defective | 30562542 | CTD |
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