Molecule

Fischerellin A

AlkaPlorer ID: AK115185

Synonym: None

IUPAC Name: 3-hydroxy-1,2-dimethyl-4-[(2S,4R)-4-methyl-2-[(E)-2-methyltetradec-4-en-6,8-diynyl]-3,4-dihydro-2H-pyrrol-5-yl]-2H-pyrrol-5-one

Structure

SMILES: CCCCCC#CC#C/C=C/CC(C)C[C@H]1C[C@@H](C)C(C2=C(O)C(C)N(C)C2=O)=N1

InChI: InChI=1S/C26H36N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-19(2)17-22-18-20(3)24(27-22)23-25(29)21(4)28(5)26(23)30/h14-15,19-22,29H,6-9,16-18H2,1-5H3/b15-14+/t19?,20-,21?,22+/m1/s1

InChIKey: ZZLORXCOISZFNX-FNTLVUBCSA-N

Reference

Fischerellin A, a novel photosystem-II-inhibiting allelochemical of the cyanobacterium Fischerella muscicola with antifungal and herbicidal activity

PubChem CID: 139587195

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NPAtlas: NPA014731

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fischerella muscicola	Fischerella	Hapalosiphonaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 408.5860000000001

TPSA？: 52.9

MolLogP？: 5.068000000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi