beauvericin
AlkaPlorer ID: AK019844
Synonym: '', '(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone', 'Beauvericin'
IUPAC Name: (3S,6R,9R,12S,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(C)[C@@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@@H](CC2=CC=CC=C2)N(C)C1=O
InChI: InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36+,37+,38+,39-/m0/s1
InChIKey: GYSCAQFHASJXRS-NUVCBEFGSA-N
Reference
Production of beauvericin byFusarium proliferatum from maize in Italy
PubChem CID: 163009030
LOTUS: LTS0102347
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium oxysporum | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 783.9630000000001
TPSA？: 139.83
MolLogP？: 4.912500000000004
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|