(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-imino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
AlkaPlorer ID: AK576172
Synonym: None
IUPAC Name: (1R,5S,6R,7R,9S,11S,13S,14S)-3-amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
Structure
SMILES: C[C@]1(O)[C@@H]2O[C@]3(O)O[C@H]1C(O)[C@@]1(NC(=N)N[C@@H](O)[C@@H]21)[C@@H]3O
InChI: InChI=1S/C11H17N3O7/c1-9(18)4-2-6(16)13-8(12)14-10(2)3(15)5(9)21-11(19,20-4)7(10)17/h2-7,15-19H,1H3,(H3,12,13,14)/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1
InChIKey: XXUFXWUHBMGUMY-FDOMXQSUSA-N
Reference
New tetrodotoxin analogs from the newt Cynops ensicauda
PubChem CID: 163911
LOTUS: LTS0233013
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynops ensicauda | Cynops | Salamandridae | Caudata | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 303.2710000000001
TPSA？: 167.51999999999998
MolLogP？: -4.282529999999995
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|