Limazepine A

AlkaPlorer ID: AK047665

Synonym: None

IUPAC Name: (6aS)-8-ethyl-4-hydroxy-3-methoxy-6a,7-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Structure

SMILES: CCC1=CN2C(=O)C3=CC=C(OC)C(O)=C3N=C(O)[C@@H]2C1

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InChI: InChI=1S/C15H16N2O4/c1-3-8-6-10-14(19)16-12-9(15(20)17(10)7-8)4-5-11(21-2)13(12)18/h4-5,7,10,18H,3,6H2,1-2H3,(H,16,19)/t10-/m0/s1

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InChIKey: WFFPORSPDSBCLL-JTQLQIEISA-N

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Properties Information

Molecule Weight: 288.303

TPSA: 82.36

MolLogP: 2.5108000000000006

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis Activity None None 10.1021/np800827w
Candida albicans Candida albicans Activity None None 10.1021/np800827w
Escherichia coli Escherichia coli IZ None None 10.1021/np800827w
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ None None 10.1021/np800827w
Rhizomucor miehei Rhizomucor miehei Activity None None 10.1021/np800827w
Staphylococcus aureus Staphylococcus aureus IZ None None 10.1021/np800827w

Metabolism Information