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(+)-Isocorypalmine

PubChem CID: 71261649

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Compound Synonyms (+)-Isocorypalmine, Isocorypalmine, D-, Isocorypalmine [MI], D-Tetrahydrocolumbamine, Isocorypalmine, (+)-, 53447-14-6, UNII-2D7L80A51V, 2D7L80A51V, CHEMBL2334892, (R)-5,8,13,13a-Tetrahydro-3,9,10-trimethoxy-6H-dibenzo(a,g)quinolizin-2-ol, (13aR)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol, 6H-Dibenzo(a,g)quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-, (R)-, SCHEMBL14703846, BDBM50429058, Q27254591
Topological Polar Surface Area 51.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 461.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P14416, P21728, P08908, P28223, P27338, P21397
Iupac Name (13aR)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Prediction Hob 1.0
Target Id NPT243, NPT242
Xlogp 2.9
Molecular Formula C20H23NO4
Prediction Swissadme 1.0
Inchi Key KDFKJOFJHSVROC-MRXNPFEDSA-N
Fcsp3 0.4
Logs -3.891
Rotatable Bond Count 3.0
Logd 3.055
Compound Name (+)-Isocorypalmine
Prediction Hob Swissadme 1.0
Exact Mass 341.163
Formal Charge 0.0
Monoisotopic Mass 341.163
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 341.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.9472234000000004
Inchi InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m1/s1
Smiles COC1=C(C2=C(C[C@@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0