Molecule

Peniciadametizine A

AlkaPlorer ID: AK041041

Synonym: None

IUPAC Name: (2R,3R,6'aR,7'R,11'aR)-7'-hydroxy-6,7-dimethoxy-2'-methyl-3,11'a-bis(methylsulfanyl)spiro[3H-1-benzofuran-2,3'-7,11-dihydro-6aH-pyrazino[1,2-b][1,2]benzoxazine]-1',4'-dione

Structure

SMILES: COC1=CC=C2C(=C1OC)O[C@]1(C(=O)N3O[C@@H]4C(=CC=C[C@H]4O)C[C@@]3(SC)C(=O)N1C)[C@@H]2SC

InChI: InChI=1S/C23H26N2O7S2/c1-24-20(27)22(34-5)11-12-7-6-8-14(26)16(12)32-25(22)21(28)23(24)19(33-4)13-9-10-15(29-2)18(30-3)17(13)31-23/h6-10,14,16,19,26H,11H2,1-5H3/t14-,16-,19-,22-,23+/m1/s1

InChIKey: UJQYDWBSIBUUKS-KSVPPNQKSA-N

Reference

Peniciadametizine A, a Dithiodiketopiperazine with a Unique Spiro[furan-2,7'-pyrazino[1,2-b][1,2]oxazine] Skeleton, and a Related Analogue, Peniciadametizine B, from the Marine Sponge-Derived Fungus Penicillium adametzioides

PubChem CID: 139583684

LOTUS: LTS0007849

{

NPAtlas: NPA002109

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium adametzioides	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 506.6020000000002

TPSA？: 97.77

MolLogP？: 2.1175

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Alternaria brassicae	Alternaria brassicae	MIC	4.0	ug.mL-1	10.1016/j.ejmech.2016.11.022