Victorin E
AlkaPlorer ID: AK068116
Synonym: None
IUPAC Name: (3S,7E)-4-[[(2S,3R)-6-amino-3-hydroxy-2-[[(2S)-5,5,5-trichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-carboxylic acid
Structure
SMILES: CC(C)[C@@H]1OC2=C(CC(C(=O)O)N=C(O)/C(=C\Cl)N=C(O)C1N=C(O)[C@@H](N=C(O)[C@H](CC(C)C(Cl)(Cl)Cl)N=C(O)C(O)O)[C@H](O)CCCN)C(=O)C(O)C2
InChI: InChI=1S/C31H44Cl4N6O13/c1-11(2)23-21(27(48)39-16(10-32)25(46)38-15(29(50)51)8-13-19(54-23)9-18(43)22(13)44)41-26(47)20(17(42)5-4-6-36)40-24(45)14(37-28(49)30(52)53)7-12(3)31(33,34)35/h10-12,14-15,17-18,20-21,23,30,42-43,52-53H,4-9,36H2,1-3H3,(H,37,49)(H,38,46)(H,39,48)(H,40,45)(H,41,47)(H,50,51)/b16-10+/t12?,14-,15?,17+,18?,20-,21?,23-/m0/s1
InChIKey: OFSPGCBDZZVUAR-SAIOMJCNSA-N
Reference
Structure of minor host-selective toxins fromCochliobolus victoriae
PubChem CID: 139586652
LOTUS: LTS0061555
{NPAtlas: NPA012805
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bipolaris victoriae | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 850.534
TPSA？: 333.48999999999995
MolLogP？: 2.2477
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|