Molecule

Iqalisetin B

AlkaPlorer ID: AK134094

Synonym: None

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

Structure

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

InChI: InChI=1S/C17H21NO5/c1-7-3-4-9-5-11(19)12(20)6-10(9)13(7)16(22)14-15(21)8(2)18-17(14)23/h3-4,7-10,12-13,20,22H,5-6H2,1-2H3,(H,18,23)/b16-14-/t7-,8+,9-,10-,12+,13-/m1/s1

InChIKey: QESOYLZLBJPMRG-CPZDRMBDSA-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: 156581364

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NPAtlas: NPA030218

Source

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

Properties Information

Molecule Weight: 319.357

TPSA？: 103.7

MolLogP？: 0.6641999999999995

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi