(+)-3-O-demethyl-3-epimacronine

AlkaPlorer ID: AK035125

Synonym: ''

IUPAC Name: (1S,13R,16S,18S)-18-hydroxy-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: CN1C[C@@H]2OC(=O)C3=CC4=C(C=C3[C@]23C=C[C@@H](O)C[C@H]13)OCO4

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InChI: InChI=1S/C17H17NO5/c1-18-7-15-17(3-2-9(19)4-14(17)18)11-6-13-12(21-8-22-13)5-10(11)16(20)23-15/h2-3,5-6,9,14-15,19H,4,7-8H2,1H3/t9-,14+,15+,17+/m1/s1

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InChIKey: YMULCYGIAHPJSE-HNOLUEMASA-N

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Source

Properties Information

Molecule Weight: 315.3250000000001

TPSA: 68.23

MolLogP: 0.8269000000000002

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information