(+)-Elaeocarpine

AlkaPlorer ID: AK031874

Synonym: '', 'Isoelaeocarpine', '(+)-Isoelaeocarpine', '(+)-Elaeocarpine'

IUPAC Name: (6aR,12aS,12bS)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one

Structure

SMILES: CC1=CC=CC2=C1C(=O)[C@@H]1[C@@H](CCN3CCC[C@@H]13)O2

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InChI: InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13+,15-/m0/s1

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InChIKey: DXTYYNIKCKARPP-LNSITVRQSA-N

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Properties Information

Molecule Weight: 257.333

TPSA: 29.540000000000003

MolLogP: 2.42302

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information