Yuzurimine E. Daphniglaucin J

AlkaPlorer ID: AK051376

Synonym: '(-)-Yuzurimine E', 'Yuzurimine E'

IUPAC Name: methyl (1R,3R,4R,10S,14S,15R,18R,19S)-18-(acetyloxymethyl)-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate

Structure

SMILES: COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52COC(C)=O)[C@@]63O)CC[C@@H]41

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InChI: InChI=1S/C25H35NO5/c1-14-11-26-12-17-6-4-16-5-7-18-19(22(28)30-3)10-24(21(16)18)23(17,13-31-15(2)27)9-8-20(14)25(24,26)29/h14,17-20,29H,4-13H2,1-3H3/t14-,17-,18-,19-,20-,23-,24-,25+/m1/s1

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InChIKey: SSBBDAORPHDCOF-BZDHKVOGSA-N

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Properties Information

Molecule Weight: 429.5570000000003

TPSA: 76.07

MolLogP: 2.895700000000001

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information