Molecule

cyclo(Pro-Ala)

AlkaPlorer ID: AK034688

Synonym: '19943-29-4', '', '(3R,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-apyrazine-1,4-dione', '19943-28-3', '65556-33-4', 'cyclo-(L-Alanyl-L-proline)', '36357-32-1', '36238-64-9'

IUPAC Name: (3S,8aS)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Structure

SMILES: C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O

InChI: InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)/t5-,6-/m0/s1

InChIKey: WSLYCILIEOFQPK-WDSKDSINSA-N

Reference

A novel indole alkaloid from deep-sea sediment metagenomic clone-derived <i>Escherichia coli</i> fermentation broth

PubChem CID: 13879951

CAS: 36357-32-1

LOTUS: LTS0076548

SuperNatural Ⅲ: SN0418800-04

NPASS: NPC84182

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus fumigatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Panax notoginseng	Panax	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pinellia pedatisecta	Pinellia	Araceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Callyspongia sp.	Callyspongia	Callyspongiidae	Haplosclerida	Demospongiae	Porifera	Metazoa	Eukaryota
Psammosilene tunicoides	Psammosilene	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 168.19599999999997

TPSA？: 49.41

MolLogP？: -0.5043000000000004

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Artemia salina	Artemia salina	LC50	100.0	ug.mL-1	10.1021/jf300146n
Bacillus spizizenii	Bacillus spizizenii	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2016.03.115
Candida albicans	Candida albicans	MFC99.9	200.0	ug ml-1	10.1016/j.bmcl.2016.03.115
Candida albicans	Candida albicans	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2016.03.115
Escherichia coli	Escherichia coli	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2016.03.115
Mus musculus	J774.A1	FC	1.36	None	10.1016/j.bmcl.2012.03.045
Mus musculus	J774.A1	FC	1.47	None	10.1016/j.bmcl.2012.03.045
Mus musculus	J774.A1	FC	1.56	None	10.1016/j.bmcl.2012.03.045
Saccharomyces cerevisiae	Saccharomyces cerevisiae	MFC99.9	200.0	ug ml-1	10.1016/j.bmcl.2016.03.115
Saccharomyces cerevisiae	Saccharomyces cerevisiae	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2016.03.115
Staphylococcus aureus	Staphylococcus aureus	MIC	200.0	ug.mL-1	10.1016/j.bmcl.2016.03.115