Molecule

Tardioxopiperazine B

AlkaPlorer ID: AK024891

Synonym: None

IUPAC Name: (3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione

Structure

SMILES: C=CC(C)(C)C1=C(C[C@@H]2NC(=O)[C@H](C)NC2=O)C2=CC=CC(CC=C(C)C)=C2N1

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

InChIKey: QNQMVKRHUCFRIY-KXBFYZLASA-N

Reference

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

PubChem CID: 10810597

LOTUS: LTS0240031

NPASS: NPC207726

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NPAtlas: NPA002055

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lactarius violascens	Lactarius	Russulaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
None	Microascus	Microascaceae	Microascales	Sordariomycetes	Ascomycota	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
Hymenoxys subintegra	Hymenoxys	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 393.5310000000001

TPSA？: 73.99000000000001

MolLogP？: 3.685800000000002

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	No relevant target	IC50	899000.0	nM	10.1021/np070208z