Mitraphylline

AlkaPlorer ID: AK001615

Synonym: 'ConMedNP.1318', '', 'Uncarin D', 'MLS000728610', '7-Isopteropodine', 'MLS000728614', 'Rauniticine-allo-oxindole A', 'Mitraphylline', 'MLSMR', 'allo-Isopteropodine', 'Ajmalicine oxindole A', 'Ajmalicine oxindole B', 'Rubradinine', 'SMR000470795', 'SMR000470796', 'Isomitraphylline', 'allo-Pteropodine', 'Isoformosanine', '5171-37-9', 'Rauniticine oxindole A', 'Isopteropodine', '509-80-8', 'SMR000440716', 'Uncarine E', 'Uncarine F', 'Uncarine C', 'Uncarine D', 'Speciofiline', 'Uncarine A', 'Speciophylline', 'Uncarine B', 'Pteropodine', 'MLS000863603'

IUPAC Name: None

Structure

SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(O)=[NH+]C5=CC=CC=C54)[C@@H]3C[C@H]12

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InChI: InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/p+1/t12-,13-,14-,18-,21+/m0/s1

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InChIKey: JMIAZDVHNCCPDM-QLMFUGSGSA-O

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Properties Information

Molecule Weight: 369.4410000000001

TPSA: 72.97

MolLogP: 0.7926000000000013

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 44668.4 nM None
Homo sapiens Alpha-synuclein Potency 25118.9 nM None
Homo sapiens Chromobox protein homolog 1 Potency 5011.9 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 50.1 nM None
Homo sapiens Geminin Potency 29092.9 nM None
Homo sapiens Huntingtin Potency 11220.2 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 1122.0 nM None
None Unchecked Potency 3548.1 nM None

Metabolism Information