Emetine; 6'-Demethoxy, 8'-hydroxy, 2'-N-(1-deoxy-β-D-fructopyranos-1-yl)
AlkaPlorer ID: AK297404
Synonym: 2'-N-(1-Deoxy-β-D-fructopyranos-1-yl)neocephaeline
IUPAC Name: 2-[[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-8-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=C(O)C(OC)=CC=C2CCN1CC1(O)OCC(O)C(O)C1O
InChI: InChI=1S/C34H48N2O9/c1-5-19-16-35-10-9-21-14-28(43-3)29(44-4)15-23(21)24(35)12-22(19)13-25-30-20(6-7-27(42-2)32(30)39)8-11-36(25)18-34(41)33(40)31(38)26(37)17-45-34/h6-7,14-15,19,22,24-26,31,33,37-41H,5,8-13,16-18H2,1-4H3
InChIKey: NATGFJZOCKZGKQ-UHFFFAOYSA-N
Reference
Ipecac alkaloids from Cephaelis acuminata
PubChem CID: 162879823
CAS: 261515-33-7
LOTUS: LTS0079785
COCONUT: CNP0145450.1
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？: 2.1543
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|