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.

Columbamine

PubChem CID: 72310

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

ℹ️ Click here to know more about the properties
Compound Synonyms Columbamine, 3621-36-1, 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol, UNII-7T4808FEJW, 7T4808FEJW, CHEBI:15920, COLUMBAMINE [MI], CHEMBL400345, Columbamin, Dehydroisocorypalmine, DTXSID80189766, 2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium, Dibenzo(a,g)quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium, Dibenzo[a,g]quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-, 2-Hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium, 5,6-DIHYDRO-2-HYDROXY-3,9,10-TRIMETHOXYDIBENZO(A,G)QUINOLIZINIUM, 7,8,13,13.ALPHA.-TETRADEHYDRO-2-HYDROXY-3,9,10-TRIMETHOXYBERBINIUM, 2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino(3,2-a)isoquinolinium, 3,9,10-trimethoxy-5,6-dihydroisoquinolino(2,1-b)isoquinolin-7-ium-2-ol, Dehydroisocorypalmine, SCHEMBL422073, DTXCID40112257, YYFOFDHQVIODOQ-UHFFFAOYSA-O, HY-N0926, BDBM50226664, AKOS030526792, CS-4254, AC-34218, DA-62448, NS00094800, C01795, AE-508/21132045, Q27098298, 3,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium-2-ol, 5,6-Dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium iodide, 7,8,13,13ALPHA-TETRADEHYDRO-2-HYDROXY-3,9,10-TRIMETHOXYBERBINIUM
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 51.8
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CC3C(CCC4CCCCC43)CC2C1
Np Classifier Class Protoberberine alkaloids, Isoquinoline alkaloids
Deep Smiles COcccCC[n+]c-c6cc%10O))))cccc6)cOC))ccc6))OC
Heavy Atom Count 25.0
Classyfire Class Protoberberine alkaloids and derivatives
Scaffold Graph Node Level C1CCC2CN3CCC4CCCCC4C3CC2C1
Isotope Atom Count 0.0
Molecular Complexity 461.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P08684
Iupac Name 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Target Id NPT109
Xlogp 3.4
Gsk 4 400 Rule True
Molecular Formula C20H20NO4+
Scaffold Graph Node Bond Level c1ccc2c(c1)CC[n+]1cc3ccccc3cc1-2
Prediction Swissadme 0.0
Inchi Key YYFOFDHQVIODOQ-UHFFFAOYSA-O
Silicos It Class Moderately soluble
Fcsp3 0.25
Logs -5.362
Rotatable Bond Count 3.0
Logd 3.475
Synonyms columbamine, columbanine
Esol Class Moderately soluble
Functional Groups cO, cOC, c[n+](c)C
Compound Name Columbamine
Prediction Hob Swissadme 0.0
Exact Mass 338.139
Formal Charge 1.0
Monoisotopic Mass 338.139
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 338.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.368174600000001
Inchi InChI=1S/C20H19NO4/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/h4-5,8-11H,6-7H2,1-3H3/p+1
Smiles COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
Nring 4.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tyrosine alkaloids

  • 1. Outgoing r'ship FOUND_IN to/from Aloe Saponaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Anamirta Cocculus (Plant) Rel Props:Reference:ISBN:9789327275590
  • 3. Outgoing r'ship FOUND_IN to/from Androsace Septentrionalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Argemone Mexicana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20645832
  • 6. Outgoing r'ship FOUND_IN to/from Artocarpus Incisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Astragalus Trojanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Berberis Amurensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Berberis Asiatica (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360481
  • 10. Outgoing r'ship FOUND_IN to/from Berberis Floribunda (Plant) Rel Props:Reference:ISBN:9770972795006
  • 11. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Berberis Lambertii (Plant) Rel Props:Reference:ISBN:9770972795006
  • 13. Outgoing r'ship FOUND_IN to/from Berberis Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Berberis Pachyacantha (Plant) Rel Props:Reference:ISBN:9788172360481
  • 15. Outgoing r'ship FOUND_IN to/from Berberis Thunbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:ISBN:9788185042145
  • 17. Outgoing r'ship FOUND_IN to/from Calocephalus Knappii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Chrysanthemum Myconis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Colubrina Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Coptis Deltoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Coptis Linearisepala (Plant) Rel Props:Source_db:npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Coptis Teeta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Coscinium Fenestratum (Plant) Rel Props:Reference:ISBN:9788190115162
  • 29. Outgoing r'ship FOUND_IN to/from Cussonia Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Dunaliella Salina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Euphorbia Fortissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Fibraurea Tinctoria (Plant) Rel Props:Source_db:npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Isodon Wikstroemioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Jateorhiza Palmata (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 35. Outgoing r'ship FOUND_IN to/from Ligularia Nelumbifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Paratinospora Sagittata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Phellodendron Chinese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Pilosocereus Chrysacanthus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Plectranthus Ernstii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 44. Outgoing r'ship FOUND_IN to/from Tephrosia Falciformis (Plant) Rel Props:Source_db:npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Thalictrum Alpinum (Plant) Rel Props:Reference:ISBN:9788185042114
  • 46. Outgoing r'ship FOUND_IN to/from Thalictrum Foliolosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Thalictrum Javanicum (Plant) Rel Props:Reference:ISBN:9788185042114
  • 48. Outgoing r'ship FOUND_IN to/from Thalictrum Minus (Plant) Rel Props:Reference:ISBN:9788185042114
  • 49. Outgoing r'ship FOUND_IN to/from Theobroma Speciosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 50. Outgoing r'ship FOUND_IN to/from Tinospora Capillipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Trifolium Dubium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home