Scopine; O-Phenylacetyl
AlkaPlorer ID: AK055286
Synonym: Phenylacetylscopine
IUPAC Name: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 2-phenylacetate
Structure
SMILES: CN1C2CC(OC(=O)CC3=CC=CC=C3)CC1C1OC12
InChI: InChI=1S/C16H19NO3/c1-17-12-8-11(9-13(17)16-15(12)20-16)19-14(18)7-10-5-3-2-4-6-10/h2-6,11-13,15-16H,7-9H2,1H3
InChIKey: CXCYCFDGKJSNIJ-UHFFFAOYSA-N
Reference
Nine new tropane alkaloids from Datura stramonium L. identified by GC/MS
PubChem CID: 90437593
LOTUS: LTS0017523
COCONUT: CNP0075131
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Datura ferox | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 273.33200000000005
TPSA？: 42.07
MolLogP？: 1.3846999999999996
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|