Tyroscherin; Stereoisomer (?), 3-ketone, N-Me 

AlkaPlorer ID: AK317037

Synonym: 2-(Dimethylamino)-1-(4-hydroxyphenyl)-8,10-dimethyl-6-dodecen-3-one, N-Methyltyroscherone, YM 193221, Antibiotic YM 193221 

IUPAC Name: (E)-2-(dimethylamino)-1-(4-hydroxyphenyl)-8,10-dimethyldodec-6-en-3-one

Structure

SMILES: CCC(C)CC(C)/C=C/CCC(=O)C(CC1=CC=C(O)C=C1)N(C)C

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InChI: InChI=1S/C22H35NO2/c1-6-17(2)15-18(3)9-7-8-10-22(25)21(23(4)5)16-19-11-13-20(24)14-12-19/h7,9,11-14,17-18,21,24H,6,8,10,15-16H2,1-5H3/b9-7+

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InChIKey: PZVTUXNAOUOZMP-VQHVLOKHSA-N

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Properties Information

Molecule Weight: 345.52700000000004

TPSA: 40.54

MolLogP: 4.842700000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information