Isoelaeocarpine
AlkaPlorer ID: AK031872
Synonym: None
IUPAC Name: (6aS,12aR,12bR)-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
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-/m1/s1
InChIKey: DXTYYNIKCKARPP-OSAQELSMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elaeocarpus angustifolius | Elaeocarpus | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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 |
|---|---|---|---|---|---|
| Homo sapiens | Butyrylcholinesterase | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.8b01027 |
| Homo sapiens | Delta opioid receptor | IC50 | 13600.0 | nM | 10.1021/np060607e |
| Mus musculus | L1210 | Activity | nan | None | 10.1021/np50036a013 |