None
AlkaPlorer ID: AK324372
Synonym: None
IUPAC Name: (5R,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
Structure
SMILES: N=C1N[C@H](O)C2C3OC4(O)O[C@@H]([C@@H](O)C2(N1)[C@@H]4O)[C@]3(O)CO
InChI: InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6-,7+,9+,10?,11?/m1/s1
InChIKey: CFMYXEVWODSLAX-IXUBDLNJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taricha granulosa | Taricha | Salamandridae | Caudata | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 319.2700000000001
TPSA？: 187.75
MolLogP？: -5.310129999999995
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Sodium channel protein type V alpha subunit | EC50 | 1.9 | nM | 10.1021/acs.jnatprod.0c00623 |