Molecule

Iqalisetin A

AlkaPlorer ID: AK134090

Synonym: None

IUPAC Name: (3Z,5S)-3-[[(1R,2R,4aS,6S,8aR)-6-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-5-methylpyrrolidine-2,4-dione

Structure

SMILES: C[C@@H]1NC(=O)/C(=C(\O)[C@H]2[C@@H]3CC[C@H](O)C[C@H]3C=C[C@H]2C)C1=O

InChI: InChI=1S/C17H23NO4/c1-8-3-4-10-7-11(19)5-6-12(10)13(8)16(21)14-15(20)9(2)18-17(14)22/h3-4,8-13,19,21H,5-7H2,1-2H3,(H,18,22)/b16-14-/t8-,9+,10-,11+,12-,13-/m1/s1

InChIKey: HZZIDRVMYJTNSW-BDPGKVGZSA-N

Reference

Isolation of iqalisetins A and B from a <i>Tolypocladium</i> sp. isolated from marine sediment from Frobisher Bay in Canada’s arctic

PubChem CID: 156581363

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NPAtlas: NPA030217

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tolypocladium sp.	Tolypocladium	Ophiocordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 305.374

TPSA？: 86.63

MolLogP？: 1.4852

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi