Molecule

Scopularide F

AlkaPlorer ID: AK049515

Synonym: None

IUPAC Name: (3S,6S,9R,12S,19S)-3-benzyl-6-ethyl-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](CC)C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)O1

InChI: InChI=1S/C40H65N5O7/c1-9-11-12-14-17-27(7)21-28(8)33-23-34(46)41-24-35(47)45-36(26(5)6)39(50)43-31(20-25(3)4)38(49)42-30(10-2)37(48)44-32(40(51)52-33)22-29-18-15-13-16-19-29/h13,15-16,18-19,25-28,30-33,36H,9-12,14,17,20-24H2,1-8H3,(H,41,46)(H,42,49)(H,43,50)(H,44,48)(H,45,47)/t27-,28-,30-,31+,32-,33-,36-/m0/s1

InChIKey: DFFYMZZNXYPOIR-XRLGKLQESA-N

Reference

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

PubChem CID: 146683040

LOTUS: LTS0256334

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NPAtlas: NPA026615

Source

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

Properties Information

Molecule Weight: 727.988

TPSA？: 189.25

MolLogP？: 8.546300000000006

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi