Molecule

Beauvericin E

AlkaPlorer ID: AK001558

Synonym: None

IUPAC Name: (3S,6R,9S,12R,15S,18R)-3,9-dibenzyl-4,10-dimethyl-15-(2-methylpropyl)-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[C@@H]1N=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)C(=O)[C@@H](C(C)C)OC1=O

InChI: InChI=1S/C41H57N3O9/c1-24(2)21-30-39(48)52-34(26(5)6)37(46)44(10)32(23-29-19-15-12-16-20-29)41(50)53-35(27(7)8)38(47)43(9)31(22-28-17-13-11-14-18-28)40(49)51-33(25(3)4)36(45)42-30/h11-20,24-27,30-35H,21-23H2,1-10H3,(H,42,45)/t30-,31-,32-,33+,34+,35+/m0/s1

InChIKey: NNSMCJXCEMTDJF-DULUVLRMSA-N

Reference

New Beauvericins, Potentiators of Antifungal Miconazole Activity, Produced by Beauveria sp. FKI-1366: I. Taxonomy, Fermentation, Isolation and Biological Properties

PubChem CID: 3007987

LOTUS: LTS0200788

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NPAtlas: NPA000027

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Beauveria sp.	Beauveria	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 735.9190000000001

TPSA？: 152.11

MolLogP？: 5.214000000000005

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi