This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(R)-Canadine

PubChem CID: 443422

Connections displayed (default: 10).
Loading graph...

Compound Synonyms (R)-(+)-Canadine, (R)-Canadine, 2086-96-6, (+)-Tetrahydroberberine, (+)-Canadine, Canadine, (+)-, Canadine d-form [MI], (R)-(+)-Tetrahydroberberine, CHEMBL476501, MB5J6D245F, CHEBI:18146, (1R)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene, (13aR)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline, 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aR)-, beta-Canadine, NCGC00016486-01, CAS-522-97-4, .BETA.-CANADINE, canadine, (+-)-isomer, (R)-(+)-Canadine, UNII-MB5J6D245F, MLS002473083, SCHEMBL14184002, HY-N1418A, DTXSID301313477, HMS2213J07, BDBM50429049, AKOS037514859, DA-69179, SMR001397186, CS-0133285, Q27102853
Topological Polar Surface Area 40.2
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 488.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P02545, P33261, P08684, P10635, O75164, P05177, P84022, O75496, Q99700, Q77YF9, P21728, P08908, P14416, P28223, Q9NUW8, O94782
Iupac Name (1R)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Prediction Hob 1.0
Target Id NPT483, NPT213, NPT109, NPT110, NPT208
Xlogp 3.1
Molecular Formula C20H21NO4
Prediction Swissadme 1.0
Inchi Key VZTUIEROBZXUFA-MRXNPFEDSA-N
Fcsp3 0.4
Logs -2.877
Rotatable Bond Count 2.0
Logd 2.251
Compound Name (R)-Canadine
Prediction Hob Swissadme 1.0
Exact Mass 339.147
Formal Charge 0.0
Monoisotopic Mass 339.147
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 339.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -4.1267242
Inchi InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1
Smiles COC1=C(C2=C(C[C@@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0