Victorin B
AlkaPlorer ID: AK106041
Synonym: None
IUPAC Name: (3S,7E)-4-[[(2S,3R)-6-amino-2-[[(2S)-5-chloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxyhexanoyl]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(CCl)C[C@H](N=C(O)C(O)O)C(O)=N[C@H](C(O)=NC1C(O)=N/C(=C/Cl)C(O)=NC(C(=O)O)CC2=C(CC(O)C2=O)O[C@H]1C(C)C)[C@H](O)CCCN
InChI: InChI=1S/C31H46Cl2N6O13/c1-12(2)24-22(28(46)37-17(11-33)26(44)36-16(30(48)49)8-14-20(52-24)9-19(41)23(14)42)39-27(45)21(18(40)5-4-6-34)38-25(43)15(7-13(3)10-32)35-29(47)31(50)51/h11-13,15-16,18-19,21-22,24,31,40-41,50-51H,4-10,34H2,1-3H3,(H,35,47)(H,36,44)(H,37,46)(H,38,43)(H,39,45)(H,48,49)/b17-11+/t13?,15-,16?,18+,19?,21-,22?,24-/m0/s1
InChIKey: QONZIYSJSHZYDF-ODCRBPDESA-N
Reference
Structure of minor host-selective toxins fromCochliobolus victoriae
PubChem CID: 139587145
LOTUS: LTS0082926
{NPAtlas: NPA014566
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bipolaris victoriae | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 781.6439999999999
TPSA？: 333.48999999999995
MolLogP？: 1.116300000000002
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|