Virotoxin; Viroisin, S-Deoxy
AlkaPlorer ID: AK237670
Synonym: Desoxoviroisin, 2-[2-(Methylsulfinyl)-L-tryptophan]viroisin
IUPAC Name: 12-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-9-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC1NC(=O)C2C(O)C(O)CN2C(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC(O)(CO)CO)NC(=O)C(CC2=C(S(C)=O)NC3=CC=CC=C23)NC1=O
InChI: InChI=1S/C38H56N8O15S/c1-16(2)26-33(56)45-27(18(4)50)34(57)42-24(13-47)37(59)46-12-25(51)29(52)28(46)35(58)39-17(3)30(53)40-22(10-20-19-8-6-7-9-21(19)43-36(20)62(5)61)31(54)41-23(32(55)44-26)11-38(60,14-48)15-49/h6-9,16-18,22-29,43,47-52,60H,10-15H2,1-5H3,(H,39,58)(H,40,53)(H,41,54)(H,42,57)(H,44,55)(H,45,56)
InChIKey: YXPPGQLZLHIPJN-UHFFFAOYSA-N
Reference
Toxicity of Peptides of <i>Amanita virosa</i> Mushrooms in Mice
PubChem CID: 156812
CAS: 74125-17-0
LOTUS: LTS0214111
COCONUT: CNP0293663
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amanita virosa | Amanita | Amanitaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 896.9739999999999
TPSA？: 369.38
MolLogP？: -6.542400000000021
Number of H-Donors: 14
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|