(1R,2S,3S,4S,5R,9S,11S,12S,14R)-7-imino-2-methyl-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1³,¹².0⁵,¹¹.0⁵,¹⁴]pentadecane-2,4,12-triol
AlkaPlorer ID: AK521886
Synonym: None
IUPAC Name: 7-amino-2-methyl-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol
Structure
SMILES: CC1(O)C2OC3(O)OC1C1C4NC(=N)NC1(C2O)C3O4
InChI: InChI=1S/C11H15N3O6/c1-9(16)4-2-6-13-8(12)14-10(2)3(15)5(9)20-11(17,19-4)7(10)18-6/h2-7,15-17H,1H3,(H3,12,13,14)
InChIKey: SGZGHGONVMNZMI-UHFFFAOYSA-N
Reference
New tetrodotoxin analogs from the newt Cynops ensicauda
PubChem CID: 13992069
LOTUS: LTS0018891
COCONUT: CNP0311032.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynops ensicauda | Cynops | Salamandridae | Caudata | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 285.2560000000001
TPSA？: 136.29000000000002
MolLogP？: -3.2369299999999965
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|