Virotoxin; [Ala1]Viroidin, S-Deoxy
AlkaPlorer ID: AK097993
Synonym: [Ala1]Desoxoviroidin, 2-[2-(Methylsulfinyl)-L-tryptophan]-3-(4,5-dihydroxy-L-leucine)-4-L-alanineviroisin
IUPAC Name: 12-(2,3-dihydroxy-2-methylpropyl)-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9,18-dimethyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC1NC(=O)C(CC(C)(O)CO)NC(=O)C(CC2=C(S(C)=O)NC3=CC=CC=C23)NC(=O)C(C)NC(=O)C2C(O)C(O)CN2C(=O)C(CO)NC(=O)C(C(C)O)NC1=O
InChI: InChI=1S/C36H52N8O14S/c1-15-28(50)39-21(10-19-18-8-6-7-9-20(18)42-34(19)59(5)58)30(52)40-22(11-36(4,57)14-46)31(53)37-16(2)29(51)43-25(17(3)47)32(54)41-23(13-45)35(56)44-12-24(48)27(49)26(44)33(55)38-15/h6-9,15-17,21-27,42,45-49,57H,10-14H2,1-5H3,(H,37,53)(H,38,55)(H,39,50)(H,40,52)(H,41,54)(H,43,51)
InChIKey: PLVBOLJPRSTSGY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amanita virosa | Amanita | Amanitaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 852.9210000000002
TPSA？: 349.1499999999999
MolLogP？: -6.150900000000006
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|