Molecule

Scopularide E

AlkaPlorer ID: AK049503

Synonym: None

IUPAC Name: (3S,6S,9R,12S,19S)-3,6-dimethyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

Structure

SMILES: CCCCCC[C@H](C)C[C@H](C)[C@@H]1CC(O)=NCC(O)=N[C@@H](C(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O1

InChI: InChI=1S/C33H59N5O7/c1-10-11-12-13-14-21(6)16-22(7)26-17-27(39)34-18-28(40)38-29(20(4)5)32(43)37-25(15-19(2)3)31(42)35-23(8)30(41)36-24(9)33(44)45-26/h19-26,29H,10-18H2,1-9H3,(H,34,39)(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t21-,22-,23-,24-,25+,26-,29-/m0/s1

InChIKey: BVIZHARSPLOVRS-MRIMINFRSA-N

Reference

Scopularides Revisited: Molecular Networking Guided Exploration of Lipodepsipeptides in Australian Marine Fish Gastrointestinal Tract-Derived Fungi

PubChem CID: 146683039

LOTUS: LTS0086418

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NPAtlas: NPA026614

Source

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

Properties Information

Molecule Weight: 637.8630000000002

TPSA？: 189.25

MolLogP？: 6.933400000000006

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi