Molecule

Peniciadametizine B

AlkaPlorer ID: AK309562

Synonym: None

IUPAC Name: 7,10,10a-trihydroxy-3-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-2-methyl-11a-methylsulfanyl-6a,7,10,11-tetrahydropyrazino[1,2-b][1,2]benzoxazine-1,4-dione

Structure

SMILES: COC1=CC=C(C=C2C(=O)N3OC4C(O)C=CC(O)C4(O)CC3(SC)C(=O)N2C)C(O)=C1OC

InChI: InChI=1S/C22H26N2O9S/c1-23-12(9-11-5-7-14(31-2)17(32-3)16(11)27)19(28)24-22(34-4,20(23)29)10-21(30)15(26)8-6-13(25)18(21)33-24/h5-9,13,15,18,25-27,30H,10H2,1-4H3

InChIKey: HBXKCYHTTYDURW-UHFFFAOYSA-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: 163051408

LOTUS: LTS0264919

COCONUT: CNP0335196.1

Source

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

Properties Information

Molecule Weight: 494.52200000000033

TPSA？: 149.23

MolLogP？: -0.1632000000000004

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi