Molecule

(S,S)-Anacine

AlkaPlorer ID: AK029877

Synonym: None

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

Structure

SMILES: CC(C)C[C@@H]1N=C(O)[C@H](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)/t13-,14-/m0/s1

InChIKey: UAOSLESQKDQZRL-KBPBESRZSA-N

Reference

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

PubChem CID: 11782827

LOTUS: LTS0116833

SuperNatural Ⅲ: SN0365199-02

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NPAtlas: NPA001273

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium aurantiogriseum	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