Cinnamoylcocaine
AlkaPlorer ID: AK032544
Synonym: '', 'Cinnamoylcocaine'
IUPAC Name: methyl (1R,2R,3S,5S)-8-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Structure
SMILES: COC(=O)[C@H]1[C@@H](OC(=O)/C=C/C2=CC=CC=C2)C[C@@H]2CC[C@H]1N2C
InChI: InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14-,15+,16-,18+/m0/s1
InChIKey: MQIXMJWNEKUAOZ-UYCDZTDFSA-N
Reference
Alkaloid Content in Two<i>Erythroxylum</i>Taxa During Juvenile Growth and Development
PubChem CID: 6440936
CAS: 521-67-5
LOTUS: LTS0033591
SuperNatural Ⅲ: SN0232555-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythroxylum coca | Erythroxylum | Erythroxylaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 329.39600000000013
TPSA？: 55.84
MolLogP？: 2.2673000000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|