Emetine; 6'-Demethoxy, 8'-hydroxy
AlkaPlorer ID: AK297403
Synonym: Neocephaeline
IUPAC Name: 1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol
Structure
SMILES: CCC1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1CC1NCCC2=CC=C(OC)C(O)=C21
InChI: InChI=1S/C28H38N2O4/c1-5-17-16-30-11-9-19-14-25(33-3)26(34-4)15-21(19)23(30)13-20(17)12-22-27-18(8-10-29-22)6-7-24(32-2)28(27)31/h6-7,14-15,17,20,22-23,29,31H,5,8-13,16H2,1-4H3
InChIKey: VGVMWYKSFWBRKQ-UHFFFAOYSA-N
Reference
Two <i>Alangium</i> Alkaloids from <i>Alangium </i><i>l</i><i>amarckii</i>
PubChem CID: 162936612
CAS: 261515-30-4
LOTUS: LTS0199982
COCONUT: CNP0206781.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cephaelis | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 466.6220000000003
TPSA？: 63.19000000000001
MolLogP？: 4.640400000000005
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|