Beauvericin J
AlkaPlorer ID: AK031990
Synonym: None
IUPAC Name: (3S,6R,9S,12R,15S,18R)-3,9-dibenzyl-15-[(4-hydroxyphenyl)methyl]-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=C(O)C=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/C45H57N3O10/c1-27(2)37-40(50)46(7)35(25-31-18-14-11-15-19-31)44(54)57-39(29(5)6)42(52)48(9)36(26-32-20-22-33(49)23-21-32)45(55)58-38(28(3)4)41(51)47(8)34(43(53)56-37)24-30-16-12-10-13-17-30/h10-23,27-29,34-39,49H,24-26H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1
InChIKey: KDXYYRZHRDVSQM-FFCOJMSVSA-N
Reference
Cyclohexadepsipeptides from Acremonium sp. BCC 28424
PubChem CID: 54769024
LOTUS: LTS0161795
{NPAtlas: NPA001409
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acremonium sp. | Acremonium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Acremonium sp. | Acremonium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Acremonium sp. | Acremonium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 799.9620000000001
TPSA？: 160.06000000000003
MolLogP？: 4.618100000000004
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|