Molecule

3-(hydroxymethyl)-6-[(1H-indol-3-yl)methyl]-3,6-dihydropyrazine-2,5-diol

AlkaPlorer ID: AK163028

Synonym: None

IUPAC Name: (3S,6S)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

Structure

SMILES: OC[C@@H]1N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C1O

InChI: InChI=1S/C14H15N3O3/c18-7-12-14(20)16-11(13(19)17-12)5-8-6-15-10-4-2-1-3-9(8)10/h1-4,6,11-12,15,18H,5,7H2,(H,16,20)(H,17,19)/t11-,12-/m0/s1

InChIKey: GNBUEEFSNREBQN-RYUDHWBXSA-N

Reference

Cytotoxic Metabolites from the Antarctic Psychrophilic Fungus <i>Oidiodendron truncatum</i>

PubChem CID: 70694585

LOTUS: LTS0191942

NPASS: NPC54988

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Acrostalagmus	Plectosphaerellaceae	Glomerellales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Oidiodendron truncatum	Oidiodendron	Myxotrichaceae	None	Leotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 273.29200000000003

TPSA？: 101.20000000000002

MolLogP？: 1.3664999999999994

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	IC50	10000.0	nM	10.1021/np3000443
Homo sapiens	A549	IC50	10000.0	nM	10.1021/np3000443
Homo sapiens	Bel-7402	IC50	10000.0	nM	10.1021/np3000443
Homo sapiens	BGC-823	IC50	10000.0	nM	10.1021/np3000443
Homo sapiens	HCT-8	IC50	10000.0	nM	10.1021/np3000443
Homo sapiens	HepG2	IC50	100000.0	nM	10.1016/j.bmcl.2012.08.115
Homo sapiens	MCF7	IC50	100000.0	nM	10.1016/j.bmcl.2012.08.115
Homo sapiens	NCI-H460	IC50	100000.0	nM	10.1016/j.bmcl.2012.08.115
Homo sapiens	SF-268	IC50	100000.0	nM	10.1016/j.bmcl.2012.08.115
Plasmodium falciparum	Plasmodium falciparum	Inhibition	-10.0	%	10.6019/CHEMBL4888484
Plasmodium falciparum	Plasmodium falciparum	Z score	1.44	None	10.6019/CHEMBL4888484
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Activity	nan	None	10.1016/j.ejmech.2022.114457
Pseudomonas aeruginosa	Pseudomonas aeruginosa	EC50	800000.0	nM	10.1016/j.ejmech.2022.114457
Pseudomonas aeruginosa	Pseudomonas aeruginosa	IC50	600000.0	nM	10.1016/j.ejmech.2022.114457
Pseudomonas aeruginosa	Pseudomonas aeruginosa	IC50	800000.0	nM	10.1016/j.ejmech.2022.114457
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	16.0	%	10.1016/j.ejmech.2022.114457
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	nan	%	10.1016/j.ejmech.2022.114457
None	Molecular identity unknown	Inhibition	20.0	%	10.1016/j.ejmech.2022.114457
None	Molecular identity unknown	Inhibition	35.0	%	10.1016/j.ejmech.2022.114457
None	Molecular identity unknown	Inhibition	nan	%	10.1016/j.ejmech.2022.114457