Molecule

Scopularide C

AlkaPlorer ID: AK049493

Synonym: None

IUPAC Name: (3S,6S,9R,12S,19S)-3-benzyl-6-methyl-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](CC2=CC=CC=C2)C(=O)O1

InChI: InChI=1S/C39H63N5O7/c1-9-10-11-13-16-26(6)20-27(7)32-22-33(45)40-23-34(46)44-35(25(4)5)38(49)42-30(19-24(2)3)37(48)41-28(8)36(47)43-31(39(50)51-32)21-29-17-14-12-15-18-29/h12,14-15,17-18,24-28,30-32,35H,9-11,13,16,19-23H2,1-8H3,(H,40,45)(H,41,48)(H,42,49)(H,43,47)(H,44,46)/t26-,27-,28-,30+,31-,32-,35-/m0/s1

InChIKey: PTRNIKCPQNPOSZ-HAEOMNIISA-N

Reference

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

PubChem CID: 146683037

LOTUS: LTS0104146

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NPAtlas: NPA026612

Source

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

Properties Information

Molecule Weight: 713.9610000000001

TPSA？: 189.25

MolLogP？: 8.156200000000007

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi