Toddaliamide; 3''-Me ether
AlkaPlorer ID: AK316139
Synonym: Methyltoddaliamide
IUPAC Name: (E)-N-cyclohexyl-3-[6-hydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-2,4-dimethoxyphenyl]prop-2-enamide
Structure
SMILES: COC1=CC(O)=C(/C=C/C(O)=NC2CCCCC2)C(OC)=C1CC(O)C(C)(C)OC
InChI: InChI=1S/C23H35NO6/c1-23(2,30-5)20(26)13-17-19(28-3)14-18(25)16(22(17)29-4)11-12-21(27)24-15-9-7-6-8-10-15/h11-12,14-15,20,25-26H,6-10,13H2,1-5H3,(H,24,27)/b12-11+
InChIKey: BAIAISGJNPPTIU-VAWYXSNFSA-N
Reference
N-cyclohexyl amides and a dimeric coumarin from formosan Toddalia asiatica
PubChem CID: 102067815
CAS: 189295-02-1
LOTUS: LTS0260683
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Toddalia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.53400000000016
TPSA？: 100.74
MolLogP？: 4.040200000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|