Molecule

Terezine D

AlkaPlorer ID: AK059913

Synonym: None

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

Structure

SMILES: CC(C)=CCC1=C2NC=C(C[C@@H]3N=C(O)[C@H](C)N=C3O)C2=CC=C1

InChI: InChI=1S/C19H23N3O2/c1-11(2)7-8-13-5-4-6-15-14(10-20-17(13)15)9-16-19(24)21-12(3)18(23)22-16/h4-7,10,12,16,20H,8-9H2,1-3H3,(H,21,24)(H,22,23)/t12-,16-/m0/s1

InChIKey: IHJVJWQYVQWURS-LRDDRELGSA-N

Reference

Metabolites from <i>Aspergillus fumigatus</i>, an Endophytic Fungus Associated with <i>Melia azedarach</i>, and Their Antifungal, Antifeedant, and Toxic Activities

PubChem CID: 10245773

LOTUS: LTS0033573

NPASS: NPC194640

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus fumigatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 325.41200000000003

TPSA？: 80.97

MolLogP？: 3.9028000000000014

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	LC50	100.0	ug.mL-1	10.1021/jf300146n
Sordaria fimicola	Sordaria fimicola	Activity	50.0	%	10.1021/np50115a011

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT005215	CC(C)=CCOP(=O)(O)OP(=O)(O)O.C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O>>CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@H](C)NC3=O)c[nH]c12	None
AKRT013020	C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O.CC(C)=CCOP(=O)(O)OP(=O)(O)O>>CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@H](C)NC3=O)c[nH]c12	enzymemap_39878