(14E)-4-hydroxy-14-(2-hydroxyethylidene)-5-methoxy-8,16-diazahexacyclo[10.7.1.1¹³,¹?.0²,?.0?,²?.0¹?,¹?]henicosa-2(7),3,5,11-tetraen-9-one

AlkaPlorer ID: AK319197

Synonym: None

IUPAC Name: (14Z)-4-hydroxy-14-(2-hydroxyethylidene)-5-methoxy-8,16-diazahexacyclo[10.7.1.113,19.02,7.08,20.016,19]henicosa-2,4,6,11-tetraen-9-one

Structure

SMILES: COC1=CC2=C(C=C1O)C1C3C(=CCC(=O)N23)C2CC13CCN3C/C2=C\CO

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InChI: InChI=1S/C22H24N2O4/c1-28-18-9-16-14(8-17(18)26)20-21-13(2-3-19(27)24(16)21)15-10-22(20)5-6-23(22)11-12(15)4-7-25/h2,4,8-9,15,20-21,25-26H,3,5-7,10-11H2,1H3/b12-4+

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InChIKey: COPZUYPRDIGNPJ-UUILKARUSA-N

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Reference

PubChem CID: 5318279

NPASS: NPC22034

Properties Information

Molecule Weight: 380.4440000000002

TPSA: 73.24000000000001

MolLogP: 1.9264

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information