Pretazettine; 8-Ketone(lactone)

AlkaPlorer ID: AK311082

Synonym: 3-Epimacronine

IUPAC Name: 18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one

Structure

SMILES: COC1C=CC23C4=CC5=C(C=C4C(=O)OC2CN(C)C3C1)OCO5

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InChI: InChI=1S/C18H19NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3

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InChIKey: YEISBJOTHHFANE-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 329.3520000000001

TPSA: 57.23

MolLogP: 1.4809999999999997

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information