Molecule

Cyclo-(L-Pro-L-Tyr)

AlkaPlorer ID: AK007091

Synonym: None

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

Structure

SMILES: O=C1[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN12

InChI: InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1

InChIKey: LSGOTAXPWMCUCK-RYUDHWBXSA-N

Reference

Cerebrosides of the Halotolerant Fungus <i>Alternaria raphani</i> Isolated from a Sea Salt Field

PubChem CID: 119404

CAS: 4549-02-4

LOTUS: LTS0082401

SuperNatural Ⅲ: SN0214024-04

NPASS: NPC242159

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NPAtlas: NPA003847

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp.	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Callyspongia pseudoreticulata	Callyspongia	Callyspongiidae	Haplosclerida	Demospongiae	Porifera	Metazoa	Eukaryota
Pseudomonas aeruginosa	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Sanguisorba tenuifolia	Sanguisorba	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pichia membranifaciens	Pichia	Pichiaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota
Uvaria hamiltonii	Uvaria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lobophora papenfussii	Lobophora	Dictyotaceae	Dictyotales	Phaeophyceae	None	None	Eukaryota
Leptoxyphium sp.	Leptoxyphium	Capnodiaceae	Capnodiales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 260.29299999999995

TPSA？: 73.13

MolLogP？: 1.2644000000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus cereus	Bacillus cereus	Activity	nan	None	10.1021/np960095b
Bacillus subtilis	Bacillus subtilis	MIC	8.7	ug.mL-1	10.1016/j.bmcl.2015.06.010
Escherichia coli	Escherichia coli	MIC	20.0	ug.mL-1	10.1016/j.bmcl.2015.06.010
Homo sapiens	C-C chemokine receptor type 2	Inhibition	nan	%	10.1021/np800745r
Homo sapiens	HUVEC	Activity	nan	None	10.1016/j.bmcl.2016.03.030
Homo sapiens	HUVEC	Inhibition	nan	%	10.1016/j.bmcl.2016.03.030
Homo sapiens	Neurokinin 1 receptor	Activity	nan	None	10.1021/np50106a005
Micrococcus luteus	Micrococcus luteus	Activity	nan	None	10.1021/np960095b
Mus musculus	Mus musculus	Activity	40.0	%	10.1016/j.bmcl.2016.03.030
Mus musculus	Mus musculus	Activity	nan	None	10.1016/j.bmcl.2016.03.030
Mus musculus	Mus musculus	Inhibition	nan	%	10.1016/j.bmcl.2016.03.030
Plutella xylostella	Phenol oxidase	IC50	42480.0	nM	10.1128/aem.00301-12
Plutella xylostella	Phenol oxidase	Inhibition	nan	%	10.1128/aem.00301-12
Plutella xylostella	Plutella xylostella	Activity	nan	None	10.1128/aem.00301-12
Plutella xylostella	Plutella xylostella	LC50	5948.7	ppm	10.1128/aem.00301-12
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Cell aggregates	33.9	None	10.1021/jm049940a
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Cell aggregates	77.5	None	10.1021/jm049940a
Spodoptera exigua	Spodoptera exigua	IC50	37710.0	nM	10.1128/aem.00301-12
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/np960095b
Staphylococcus aureus	Staphylococcus aureus	MIC	10.2	ug.mL-1	10.1016/j.bmcl.2015.06.010
None	ADMET	Activity	nan	None	10.1021/np800745r
None	NON-PROTEIN TARGET	IC50	5.65	ug.mL-1	10.1021/np100902f
None	NON-PROTEIN TARGET	IC50	11.72	ug.mL-1	10.1021/np100902f
None	NON-PROTEIN TARGET	Inhibition	nan	%	10.1021/np100902f
None	Radical scavenging activity	Activity	16.0	%	10.1021/np900483g
None	Unchecked	IC50	47790.0	nM	10.1128/aem.00301-12
None	Unchecked	Inhibition	nan	%	10.1128/aem.00301-12