Neosurugatoxin; 5'-O-Dexylosyl
AlkaPlorer ID: AK307624
Synonym: Prosurugatoxin
IUPAC Name: (2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate
Structure
SMILES: CC1(O)C2=NC3=C(O)N=C(O)N=C3NCC2C(C(=O)OC2C(O)C(O)C(O)C(O)C2O)C12C(O)=NC1=CC(Br)=CC=C12
InChI: InChI=1S/C25H26BrN5O11/c1-24(41)18-7(5-27-19-11(29-18)20(37)31-23(40)30-19)10(25(24)8-3-2-6(26)4-9(8)28-22(25)39)21(38)42-17-15(35)13(33)12(32)14(34)16(17)36/h2-4,7,10,12-17,32-36,41H,5H2,1H3,(H,28,39)(H3,27,30,31,37,40)
InChIKey: AFDHDUMCMVFEIH-UHFFFAOYSA-N
Reference
Isolation of a new toxin, prosurugatoxin, from the toxic Japanese ivory shell, Babylonia japonica.
PubChem CID: 127222
CAS: 6306-04-3
LOTUS: LTS0183066
COCONUT: CNP0355742.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Babylonia japonica | Babylonia | Buccinidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 652.4110000000002
TPSA？: 270.9
MolLogP？: -1.5851999999999988
Number of H-Donors: 10
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|