Pseudochelin A

AlkaPlorer ID: AK147189

Synonym: None

IUPAC Name: N-[4-[(5S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-2,3-dihydroxybenzamide

Structure

SMILES: OC(=NCCCC[C@H]1CN=C(C2=CC=CC(O)=C2O)N1)C1=C(O)C(O)=CC=C1

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InChI: InChI=1S/C20H23N3O5/c24-15-8-3-6-13(17(15)26)19-22-11-12(23-19)5-1-2-10-21-20(28)14-7-4-9-16(25)18(14)27/h3-4,6-9,12,24-27H,1-2,5,10-11H2,(H,21,28)(H,22,23)/t12-/m0/s1

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InChIKey: SFLDBSNOISLFEG-LBPRGKRZSA-N

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Properties Information

Molecule Weight: 385.4200000000001

TPSA: 137.9

MolLogP: 2.4025000000000016

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Arachidonate 5-lipoxygenase IC50 900.0 nM 10.1021/acs.jnatprod.9b00403

Metabolism Information