Molecule

Azaspirene

AlkaPlorer ID: AK289978

Synonym: None

IUPAC Name: 8-benzyl-2-hexa-1,3-dienyl-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

Structure

SMILES: CCC=CC=CC1=C(C)C(=O)C2(O1)C(O)=NC(O)(CC1=CC=CC=C1)C2O

InChI: InChI=1S/C21H23NO5/c1-3-4-5-9-12-16-14(2)17(23)21(27-16)18(24)20(26,22-19(21)25)13-15-10-7-6-8-11-15/h4-12,18,24,26H,3,13H2,1-2H3,(H,22,25)

InChIKey: QLKGRMRPKQNCRR-UHFFFAOYSA-N

Reference

Azaspirene: A Novel Angiogenesis Inhibitor Containing a 1-Oxa-7-azaspiro[4.4]non-2-ene-4,6-dione Skeleton Produced by the Fungus <i>Neosartorya</i> sp.

PubChem CID: 60122987

LOTUS: LTS0038133

COCONUT: CNP0349326.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Neosartorya sp.	Neosartorya	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 369.4170000000001

TPSA？: 99.35

MolLogP？: 2.383200000000001

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi