Isoapocavidine

AlkaPlorer ID: AK097206

Synonym: ''

IUPAC Name: (12R,13S)-16-methoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-17-ol

Structure

SMILES: COC1=CC2=C(C=C1O)CCN1CC3=C4OCOC4=CC=C3[C@@H](C)[C@@H]21

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InChI: InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-16(22)18(23-2)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m1/s1

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InChIKey: IHNKNZSIZUBHCB-WYRIXSBYSA-N

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Source

Properties Information

Molecule Weight: 339.391

TPSA: 51.16000000000001

MolLogP: 3.346000000000002

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information