19-(methoxycarbonyl)-15,16-dimethyl-17-oxa-3,13??-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-1,4,6,8,10,12,18-heptaen-13-ylium-3-ide
AlkaPlorer ID: AK526806
Synonym: None
IUPAC Name: methyl 15,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
Structure
SMILES: COC(=O)C1=COC(C)C2(C)CN3C=CC4=C5C=CC=CC5=NC4=C3CC12
InChI: InChI=1S/C22H22N2O3/c1-13-22(2)12-24-9-8-15-14-6-4-5-7-18(14)23-20(15)19(24)10-17(22)16(11-27-13)21(25)26-3/h4-9,11,13,17H,10,12H2,1-3H3
InChIKey: SSQYVTZCKQTPKQ-UHFFFAOYSA-N
Reference
Cytochrome P450 2D6 (CYP2D6) Inhibitory Constituents of Catharanthus roseus
PubChem CID: 163194434
LOTUS: LTS0227544
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus roseus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 362.4290000000001
TPSA？: 53.35
MolLogP？: 3.795300000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|