Molecule

Anacine

AlkaPlorer ID: AK287842

Synonym: None

IUPAC Name: 3-[1-(2-methylpropyl)-3,6-dioxo-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-4-yl]propanamide

Structure

SMILES: CC(C)CC1N=C(O)C(CCC(=N)O)N2C1=NC1=CC=CC=C1C2=O

InChI: InChI=1S/C18H22N4O3/c1-10(2)9-13-16-20-12-6-4-3-5-11(12)18(25)22(16)14(17(24)21-13)7-8-15(19)23/h3-6,10,13-14H,7-9H2,1-2H3,(H2,19,23)(H,21,24)

InChIKey: UAOSLESQKDQZRL-UHFFFAOYSA-N

Reference

Anacine, a New Benzodiazepine Metabolite of Penicillium aurantiogriseum Produced with Other Alkaloids in Submerged Fermentation

PubChem CID: 73099168

CAS: 154613-22-6

LOTUS: LTS0209459

COCONUT: CNP0150274.2

Source

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

Properties Information

Molecule Weight: 342.39900000000006

TPSA？: 111.56

MolLogP？: 3.3103700000000007

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi