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
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
InChIKey: GQIJYUMTOUBHSH-UHFFFAOYSA-N
Reference
PubChem CID: 117669
CAS: 25924-78-1
LOTUS: LTS0118001
NPASS: NPC172020
COCONUT: CNP0202571
Source
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
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