Molecule

Smenamide E

AlkaPlorer ID: AK326975

Synonym: None

IUPAC Name: N-[(4Z)-4-(chloromethylidene)-8-hydroxy-10-[3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-7,9-dimethyl-10-oxodecyl]-N-methylpropanamide

Structure

SMILES: CCC(=O)N(C)CCC/C(=C\Cl)CCC(C)C(O)C(C)C(=O)N1C(=O)C=C(OC)C1CC(C)C

InChI: InChI=1S/C26H43ClN2O5/c1-8-23(30)28(6)13-9-10-20(16-27)12-11-18(4)25(32)19(5)26(33)29-21(14-17(2)3)22(34-7)15-24(29)31/h15-19,21,25,32H,8-14H2,1-7H3/b20-16+

InChIKey: IURWMKSBPILHRN-CAPFRKAQSA-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: 146683882

LOTUS: LTS0234537

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NPAtlas: NPA027589

Source

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

Properties Information

Molecule Weight: 499.0920000000002

TPSA？: 87.15000000000002

MolLogP？: 4.484800000000004

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi