3270-35-7
AlkaPlorer ID: AK070006
Synonym: None
IUPAC Name: (1R,2R,3R,4S,5R,6R,7S,11R)-9-amino-2,3,4,5-tetrahydroxy-4-(hydroxymethyl)-12-oxa-8,10-diazatricyclo[5.3.2.01,6]dodec-8-ene-11-carboxylic acid
Structure
SMILES: N=C1N[C@H]2O[C@@H](C(=O)O)[C@@]3(N1)[C@@H]2[C@@H](O)[C@@](O)(CO)[C@H](O)[C@@H]3O
InChI: InChI=1S/C11H17N3O8/c12-9-13-7-2-3(16)10(21,1-15)4(17)5(18)11(2,14-9)6(22-7)8(19)20/h2-7,15-18,21H,1H2,(H,19,20)(H3,12,13,14)/t2-,3-,4-,5+,6+,7+,10+,11-/m1/s1
InChIKey: MWPMJZZQPDXVJT-JTUKEBEQSA-N
Reference
Tetrodotoxin derivatives in puffer fish
PubChem CID: 90472149
CAS: 3270-35-7
LOTUS: LTS0206761
SuperNatural Ⅲ: SN0237352-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Takifugu poecilonotus | Takifugu | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 319.27000000000004
TPSA？: 195.59
MolLogP？: -4.901829999999995
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|