Molecule

Smenamide D

AlkaPlorer ID: AK045030

Synonym: None

IUPAC Name: N-[(Z,4Z,7R)-4-(chloromethylidene)-10-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-7,9-dimethyl-10-oxodec-8-enyl]-N-methylacetamide

Structure

SMILES: COC1=CC(=O)N(C(=O)/C(C)=C\[C@H](C)CC/C(=C/Cl)CCCN(C)C(C)=O)[C@H]1CC(C)C

InChI: InChI=1S/C25H39ClN2O4/c1-17(2)13-22-23(32-7)15-24(30)28(22)25(31)19(4)14-18(3)10-11-21(16-26)9-8-12-27(6)20(5)29/h14-18,22H,8-13H2,1-7H3/b19-14-,21-16+/t18-,22+/m1/s1

InChIKey: VZXRJCLKLPORSH-PNRLGIOFSA-N

Reference

The Metabolome of a Cyanobacterial Bloom Visualized by MS/MS-Based Molecular Networking Reveals New Neurotoxic Smenamide Analogs (C, D, and E)

PubChem CID: 146683883

LOTUS: LTS0273352

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NPAtlas: NPA027590

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trichodesmium sp.	Trichodesmium	Microcoleaceae	Oscillatoriales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 467.0500000000003

TPSA？: 66.92

MolLogP？: 5.044000000000005

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi