Emetine; O6'-De-Me, 2'-N-(1-deoxy-β-D-fructopyranos-1-yl)
AlkaPlorer ID: AK297401
Synonym: 2'-N-(1-Deoxy-β-D-fructopyranos-1-yl)cephaeline
IUPAC Name: 2-[[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]oxane-2,3,4,5-tetrol
Structure
SMILES: CCC1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1CC1C2=CC(OC)=C(O)C=C2CCN1CC1(O)OCC(O)C(O)C1O
InChI: InChI=1S/C34H48N2O9/c1-5-19-16-35-8-6-21-13-30(43-3)31(44-4)15-24(21)25(35)10-22(19)11-26-23-14-29(42-2)27(37)12-20(23)7-9-36(26)18-34(41)33(40)32(39)28(38)17-45-34/h12-15,19,22,25-26,28,32-33,37-41H,5-11,16-18H2,1-4H3
InChIKey: PHANIVGAHBXZOI-UHFFFAOYSA-N
Reference
Ipecac alkaloids from Cephaelis acuminata
PubChem CID: 162928829
CAS: 261515-32-6
LOTUS: LTS0027635
COCONUT: CNP0198617.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cephaelis | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 628.7630000000005
TPSA？: 144.55
MolLogP？: 2.1543000000000005
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|