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Pseudopalmatine

PubChem CID: 644002

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Compound Synonyms Pseudopalmatine, 19716-66-6, dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,10,11-tetramethoxy-, 2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium, CHEBI:70647, DTXSID30349252, Pseudopalmatine Trifluoroacetate, CHEMBL1270850, 2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino(2,1-b)isoquinolin-7-ium, CHEMBL376300, 5,6-Dihydro-8-demethylcoralyne, SCHEMBL25571345, DTXCID90300324, 5,6-Dihydro-2,3,10,11-tetramethoxydibenzo[a,g]quinolizinium, BDBM50328694, AKOS028108703, Q27138980, B0005-172977
Topological Polar Surface Area 40.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 475.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Prediction Hob 1.0
Xlogp 3.7
Molecular Formula C21H22NO4+
Prediction Swissadme 1.0
Inchi Key CLFBXKHKECKSQM-UHFFFAOYSA-N
Fcsp3 0.2857142857142857
Logs -5.452
Rotatable Bond Count 4.0
Logd 3.541
Compound Name Pseudopalmatine
Prediction Hob Swissadme 1.0
Exact Mass 352.155
Formal Charge 1.0
Monoisotopic Mass 352.155
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 352.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.5788266153846156
Inchi InChI=1S/C21H22NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h7-12H,5-6H2,1-4H3/q+1
Smiles COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C=C23)OC)OC)OC
Nring 4.0
Defined Bond Stereocenter Count 0.0