Molecule

Emetine; 1',2'-Didehydro, O6'-de-Me

AlkaPlorer ID: AK297406

Synonym: Psychotrine

IUPAC Name: 1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-3,4-dihydroisoquinolin-6-ol

Structure

SMILES: CCC1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1CC1=NCCC2=CC(O)=C(OC)C=C12

InChI: InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3

InChIKey: NCALAYAMQHIWMN-UHFFFAOYSA-N

Reference

Two Alangium Alkaloids from Alangium lamarckii

PubChem CID: 3496498

CAS: 7633-29-6

LOTUS: LTS0273378

COCONUT: CNP0182185.7

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Alangium	Cornaceae	Cornales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Cephaelis	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pogonopus speciosus	Pogonopus	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Psychotria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alangium salviifolium	Alangium	Cornaceae	Cornales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 464.60600000000034

TPSA？: 63.52000000000001

MolLogP？: 4.798800000000005

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi