Beauvericin G2
AlkaPlorer ID: AK014604
Synonym: None
IUPAC Name: (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12-diethyl-4,10,16-trimethyl-18-propan-2-yl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CC[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](CC)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/C43H53N3O9/c1-8-35-38(47)44(5)32(25-29-19-13-10-14-20-29)41(50)53-36(9-2)39(48)45(6)34(27-31-23-17-12-18-24-31)43(52)55-37(28(3)4)40(49)46(7)33(42(51)54-35)26-30-21-15-11-16-22-30/h10-24,28,32-37H,8-9,25-27H2,1-7H3/t32-,33-,34-,35+,36+,37+/m0/s1
InChIKey: PZXVLKNLYUVXNP-ICSVSLQJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 755.9090000000001
TPSA？: 139.83
MolLogP？: 4.420500000000003
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 7600.0 | nM | 10.1021/np070262f |
| None | NON-PROTEIN TARGET | IC50 | 10400.0 | nM | 10.1021/np070262f |
| None | NON-PROTEIN TARGET | Ratio | 1.4 | None | 10.1021/np070262f |