Molecule

Not named

AlkaPlorer ID: AK014584

Synonym: None

IUPAC Name: (3S,6S)-3,6-bis[(4-hydroxyphenyl)methyl]-1,4-dimethylpiperazine-2,5-dione

Structure

SMILES: CN1C(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@@H]1CC1=CC=C(O)C=C1

InChI: InChI=1S/C20H22N2O4/c1-21-17(11-13-3-7-15(23)8-4-13)20(26)22(2)18(19(21)25)12-14-5-9-16(24)10-6-14/h3-10,17-18,23-24H,11-12H2,1-2H3/t17-,18-/m0/s1

InChIKey: LVVOUDOWZDIZFR-ROUUACIJSA-N

Reference

Isolation and structure elucidation of two new calpain inhibitors from Streptomyces griseus.

PubChem CID: 10473315

LOTUS: LTS0203155

SuperNatural Ⅲ: SN0216821-01

NPASS: NPC257390

{

NPAtlas: NPA006463

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Croton californicus	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Malva crispa	Malva	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Albugo candida	Albugo	Albuginaceae	Albuginales	None	Oomycota	None	Eukaryota
Dendrobium rotundatum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Graphis elongata	Graphis	Graphidaceae	Ostropales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Distolasterias nipon	Distolasterias	Asteriidae	Forcipulatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
Rhinella paracnemis	Rhinella	Bufonidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota
Toxicodendron succedaneum	Toxicodendron	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces griseus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Picrorhiza kurrooa	Picrorhiza	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ratibida latipalearis	Ratibida	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phellinus xeranticus	Phellinus	Hymenochaetaceae	Hymenochaetales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Weddellina squamulosa	Weddellina	Podostemaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homarus americanus	Homarus	Nephropidae	Decapoda	Malacostraca	Arthropoda	Metazoa	Eukaryota
Culcitium canescens	Culcitium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 354.4060000000001

TPSA？: 81.08000000000001

MolLogP？: 1.550599999999999

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Calpain 1	IC50	800.0	nM	10.1016/s0960-894x(01)00524-8
Homo sapiens	Calpain 1	Inhibition	0.0	%	10.1016/j.bmcl.2005.04.031
Sus scrofa	Calpain small subunit 1	Activity	nan	None	10.1016/s0960-894x(01)00524-8
None	Unchecked	IC50	800.0	nM	10.1016/j.bmcl.2005.04.031