Conopharyngine hydroxyindolenine

AlkaPlorer ID: AK172539

Synonym: 'Jollyanine', 'Jollyanine(Tabernaemontana)'

IUPAC Name: methyl (1S,10S,15R,17S,18S)-17-ethyl-10-hydroxy-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraene-1-carboxylate

Structure

SMILES: CC[C@H]1C[C@H]2CN3CC[C@@]4(O)C(=NC5=CC(OC)=C(OC)C=C54)[C@](C(=O)OC)(C2)[C@H]13

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InChI: InChI=1S/C23H30N2O5/c1-5-14-8-13-11-22(21(26)30-4)19(14)25(12-13)7-6-23(27)15-9-17(28-2)18(29-3)10-16(15)24-20(22)23/h9-10,13-14,19,27H,5-8,11-12H2,1-4H3/t13-,14+,19+,22+,23+/m1/s1

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InChIKey: JPVQTLIBUYDUED-KHDHHHMKSA-N

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Source

Properties Information

Molecule Weight: 414.5020000000002

TPSA: 80.59000000000002

MolLogP: 2.6610000000000014

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information