Molecule

Pseurotin A1

AlkaPlorer ID: AK001499

Synonym: None

IUPAC Name: (5S,8S,9S)-8-benzoyl-2-[(E,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

Structure

SMILES: CC/C=C/[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(O)=N[C@@](OC)(C(=O)C1=CC=CC=C1)[C@H]2O

InChI: InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5+/t14-,15-,19-,21+,22+/m0/s1

InChIKey: SLYDIPAXCVVRNY-VLINKQCSSA-N

Reference

Metabolites from <i>Aspergillus fumigatus</i>, an Endophytic Fungus Associated with <i>Melia azedarach</i>, and Their Antifungal, Antifeedant, and Toxic Activities

PubChem CID: 51413491

LOTUS: LTS0198179

SuperNatural Ⅲ: SN0349156-37

NPASS: NPC339338

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus fumigatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 431.44100000000014

TPSA？: 145.88

MolLogP？: 0.8430999999999995

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Artemia salina	Artemia salina	LC50	100.0	ug.mL-1	10.1021/jf300146n