(+)-Evodiamine
(+)-Evodiamine Structure
Systematic / IUPAC Name: (13bS)-14-Methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
ID: Reference6232
Other Names:
Evodiamine;
(S)-14-Methyl-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one;
(S)-14-Methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one;
Indol[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)- ;
Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-
Formula: C19H17N3O
Class: Endogenous Metabolites Natural Products/Medicines
Spectral Data
(+)-Evodiamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 833 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 1/19/2017 12:26:06 PM |
Identificators
| InChI | InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1 |
| InChI Key | TXDUTHBFYKGSAH-SFHVURJKSA-N |
| Canonical SMILES | CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 |
| CAS | 518172 |
| Splash | |
| Other Names |
Evodiamine; (S)-14-Methyl-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one; (S)-14-Methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; Indol[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)- ; Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-; D-Evodiamine |
In Other Databases
| ChemSpider | 390624 |
| PubChem | 442088 |
| Wikipedia | Evodiamine |
| ChEMBL | CHEMBL463165 |
| ChEBI | CHEBI:4948 |
| KEGG | C09187 |