Molecule

Tardioxopiperazine A

AlkaPlorer ID: AK066281

Synonym: None

IUPAC Name: (3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione

Structure

SMILES: C=CC(C)(C)C1=C(C[C@@H]2N=C(O)[C@H](C)N=C2O)C2=CC(CC=C(C)C)=CC=C2N1

InChI: InChI=1S/C24H31N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-12,15,20,26H,1,9,13H2,2-6H3,(H,25,29)(H,27,28)/t15-,20-/m0/s1

InChIKey: WXGWEFVOPYZZTA-YWZLYKJASA-N

Reference

Isoechinulin-type Alkaloids, Variecolorins A–L, from Halotolerant Aspergillus variecolor

PubChem CID: 10810596

LOTUS: LTS0085181

NPASS: NPC16667

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lactarius violascens	Lactarius	Russulaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Antidesma venosum	Antidesma	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dacrydium nidulum	Dacrydium	Podocarpaceae	Araucariales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Stichoneuron caudatum	Stichoneuron	Stemonaceae	Pandanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Eurotium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Hymenoxys subintegra	Hymenoxys	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Eurotium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 393.5310000000001

TPSA？: 80.97

MolLogP？: 5.366400000000004

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Artemia salina	Artemia salina	LD50	nan	None	10.1021/np5007839
Escherichia coli	Escherichia coli	MIC	64.0	ug.mL-1	10.1016/j.bmcl.2012.05.088
Staphylococcus aureus	Staphylococcus aureus	MIC	8.0	ug.mL-1	10.1016/j.bmcl.2012.05.088
None	No relevant target	IC50	912000.0	nM	10.1021/np070208z