Molecule

Scopularide D

AlkaPlorer ID: AK049496

Synonym: None

IUPAC Name: (3S,6S,9R,12S,19S)-6-methyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-3,12-di(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)C)C(=O)O1

InChI: InChI=1S/C35H63N5O7/c1-11-12-13-14-15-23(8)17-24(9)27-18-28(41)36-19-29(42)39-30(21(4)5)34(45)38-26(16-20(2)3)33(44)37-25(10)32(43)40-31(22(6)7)35(46)47-27/h20-27,30-31H,11-19H2,1-10H3,(H,36,41)(H,37,44)(H,38,45)(H,39,42)(H,40,43)/t23-,24-,25-,26+,27-,30-,31-/m0/s1

InChIKey: CSJVUDGCIHMRRC-ORJUUISASA-N

Reference

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

PubChem CID: 146683038

LOTUS: LTS0071836

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NPAtlas: NPA026613

Source

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

Properties Information

Molecule Weight: 665.9170000000001

TPSA？: 189.25

MolLogP？: 7.569500000000008

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi