6-O-methylpretazettine

AlkaPlorer ID: AK037593

Synonym: None

IUPAC Name: (1S,11R,13R,16S,18S)-11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene

Structure

SMILES: CO[C@@H]1O[C@H]2CN(C)[C@H]3C[C@H](OC)C=C[C@@]23C2=CC3=C(C=C21)OCO3

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InChI: InChI=1S/C19H23NO5/c1-20-9-17-19(5-4-11(21-2)6-16(19)20)13-8-15-14(23-10-24-15)7-12(13)18(22-3)25-17/h4-5,7-8,11,16-18H,6,9-10H2,1-3H3/t11-,16+,17+,18-,19+/m1/s1

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InChIKey: MWGLYQGPZVUKHO-HVEWUWHJSA-N

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Properties Information

Molecule Weight: 345.3950000000001

TPSA: 49.39

MolLogP: 1.9858

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