Molecule

1-Alaninechlamydocin

AlkaPlorer ID: AK283727

Synonym: None

IUPAC Name: 3-benzyl-6-methyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Structure

SMILES: CC1N=C(O)C(CCCCCC(=O)C2CO2)N=C(O)C2CCCN2C(=O)C(CC2=CC=CC=C2)N=C1O

InChI: InChI=1S/C27H36N4O6/c1-17-24(33)30-20(15-18-9-4-2-5-10-18)27(36)31-14-8-12-21(31)26(35)29-19(25(34)28-17)11-6-3-7-13-22(32)23-16-37-23/h2,4-5,9-10,17,19-21,23H,3,6-8,11-16H2,1H3,(H,28,34)(H,29,35)(H,30,33)

InChIKey: QMNUPNOLDLHVTB-UHFFFAOYSA-N

Reference

A Potent HDAC Inhibitor, 1-Alaninechlamydocin, from a <i>Tolypocladium</i> sp. Induces G2/M Cell Cycle Arrest and Apoptosis in MIA PaCa-2 Cells

PubChem CID: 126456087

LOTUS: LTS0229976

COCONUT: CNP0155076.4

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tolypocladium sp.	Tolypocladium	Ophiocordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 512.6070000000003

TPSA？: 147.68

MolLogP？: 3.1473000000000013

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi