Molecule

Scopularide G

AlkaPlorer ID: AK049521

Synonym: None

IUPAC Name: (3S,6S,9R,12S,19S)-6-ethyl-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](CC)C(O)=N[C@@H](C(C)C)C(=O)O1

InChI: InChI=1S/C36H65N5O7/c1-11-13-14-15-16-24(9)18-25(10)28-19-29(42)37-20-30(43)40-31(22(5)6)35(46)39-27(17-21(3)4)34(45)38-26(12-2)33(44)41-32(23(7)8)36(47)48-28/h21-28,31-32H,11-20H2,1-10H3,(H,37,42)(H,38,45)(H,39,46)(H,40,43)(H,41,44)/t24-,25-,26-,27+,28-,31-,32-/m0/s1

InChIKey: MFAMPZDMMVTXQD-CKQAOITASA-N

Reference

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

PubChem CID: 146683041

LOTUS: LTS0235178

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NPAtlas: NPA026616

Source

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

Properties Information

Molecule Weight: 679.9440000000001

TPSA？: 189.25

MolLogP？: 7.959600000000008

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi