Joubertiamine; (±)-form

AlkaPlorer ID: AK303346

Synonym: None

IUPAC Name: 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohex-2-en-1-one

Structure

SMILES: CN(C)CCC1(C2=CC=C(O)C=C2)C=CC(=O)CC1

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InChI: InChI=1S/C16H21NO2/c1-17(2)12-11-16(9-7-15(19)8-10-16)13-3-5-14(18)6-4-13/h3-7,9,18H,8,10-12H2,1-2H3

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InChIKey: QVPLXXHKAJMJHF-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 259.349

TPSA: 40.54

MolLogP: 2.500800000000001

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information