Joubertiamine; (R)-form, 3'-Methoxy, Me ether
AlkaPlorer ID: AK303348
Synonym: 4-(3,4-Dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]-2-cyclohexen-1-one, 3'-Methoxy-4'-O-methyljoubertiamine
IUPAC Name: 4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-one
Structure
SMILES: COC1=CC=C(C2(CCN(C)C)C=CC(=O)CC2)C=C1OC
InChI: InChI=1S/C18H25NO3/c1-19(2)12-11-18(9-7-15(20)8-10-18)14-5-6-16(21-3)17(13-14)22-4/h5-7,9,13H,8,10-12H2,1-4H3
InChIKey: HLUBCMPIISFQMY-UHFFFAOYSA-N
Reference
Sceletium alkaloids. Structures of five new bases from Sceletium namaquense
PubChem CID: 14428116
LOTUS: LTS0124516
COCONUT: CNP0136874.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mesembryanthemum tortuosum | Mesembryanthemum | Aizoaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 303.40200000000004
TPSA？: 38.77
MolLogP？: 2.812400000000001
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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