Trichostachine

AlkaPlorer ID: AK010762

Synonym: '', 'N-10-(1314-methylenedioxyphenyl)-7(E)9(Z)-pentadienoyl-pyrrolidine', 'Piperyline N-10-(1314-methylenedioxyphenyl)-7(E)9(E)-pentadienoyl-pyrrolidine', 'Trichostachine'

IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one

Structure

SMILES: O=C(C=CC=CC1=CC=C2OCOC2=C1)N1CCCC1

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InChI: InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2

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InChIKey: GQIJYUMTOUBHSH-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 271.316

TPSA: 38.77

MolLogP: 2.607100000000001

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information