Grandisine B
AlkaPlorer ID: AK040273
Synonym: '(+)-Grandisine B', 'grandisine B'
IUPAC Name: (1S,4S,8S)-3-[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]-8-methyl-2-azabicyclo[2.2.2]oct-2-en-5-one
Structure
SMILES: C[C@H]1C[C@H]2CC(=O)[C@@H]1C(C1=CCCN3CCC[C@@H]13)=N2
InChI: InChI=1S/C16H22N2O/c1-10-8-11-9-14(19)15(10)16(17-11)12-4-2-6-18-7-3-5-13(12)18/h4,10-11,13,15H,2-3,5-9H2,1H3/t10-,11-,13-,15+/m0/s1
InChIKey: QVHSEEKPJUZQLM-TZQJONAQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elaeocarpus angustifolius | Elaeocarpus | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 258.36499999999995
TPSA？: 32.67
MolLogP？: 2.2193000000000005
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|