Molecule

Scopularide H

AlkaPlorer ID: AK049538

Synonym: None

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

Structure

SMILES: CCCCCCCC[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/C38H61N5O7/c1-8-9-10-11-12-14-17-26(6)31-22-32(44)39-23-33(45)43-34(25(4)5)37(48)41-29(20-24(2)3)36(47)40-27(7)35(46)42-30(38(49)50-31)21-28-18-15-13-16-19-28/h13,15-16,18-19,24-27,29-31,34H,8-12,14,17,20-23H2,1-7H3,(H,39,44)(H,40,47)(H,41,48)(H,42,46)(H,43,45)/t26-,27-,29+,30-,31-,34-/m0/s1

InChIKey: RALTUMFCLLNZRF-BPCJYGDJSA-N

Reference

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

PubChem CID: 146683042

LOTUS: LTS0065284

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NPAtlas: NPA026617

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Scopulariopsis sp.	Scopulariopsis	Microascaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 699.9340000000002

TPSA？: 189.25

MolLogP？: 7.910200000000008

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi