Grandisine A
AlkaPlorer ID: AK073258
Synonym: 'grandisine A', '(+)-Grandisine A'
IUPAC Name: (1S,4S,8S,10R,17R)-4,8-dimethyl-3,9-dioxa-13-azatetracyclo[8.7.0.02,7.013,17]heptadec-2(7)-en-6-one
Structure
SMILES: C[C@@H]1O[C@@H]2CCN3CCC[C@@H]3[C@@H]2C2=C1C(=O)C[C@H](C)O2
InChI: InChI=1S/C16H23NO3/c1-9-8-12(18)14-10(2)20-13-5-7-17-6-3-4-11(17)15(13)16(14)19-9/h9-11,13,15H,3-8H2,1-2H3/t9-,10-,11+,13+,15-/m0/s1
InChIKey: WTEJUVPHIIJNDX-JUFVYRIHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elaeocarpus angustifolius | Elaeocarpus | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 277.36400000000003
TPSA？: 38.77
MolLogP？: 1.89
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|