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Tetrahydropalmatine

PubChem CID: 72301

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Compound Synonyms Rotundine, l-Tetrahydropalmatine, tetrahydropalmatine, 483-14-7, (-)-Tetrahydropalmatine, Gindarine, Hyndarine, (S)-Tetrahydropalmatine, Caseanine, (-)-Corydalis, (-)-Corydalis B, levo-tetrahydropalmatine, (-)-rotundine, Tetrahydropalmatine, l-, Tetrahydropalmatine, (-)-, Berbine, 2,3,9,10-tetramethoxy-, (S)-(-)-tetrahydropalmatine, (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline, 2,3,9,10-tetramethoxyberbine, CHEBI:16563, 3X69CO5I79, 13a-alpha-Berbine, 2,3,9,10-tetramethoxy-, Tetrahydropalmatine l-form, (-)-2,3,9,10-Tetramethoxyberbine, 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine, 2,3,9,10-tetramethoxy-13aalpha-berbine, (S)-2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline, TETRAHYDROPALMATINE [WHO-DD], (S)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine, 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)-, TETRAHYDROPALMATINE L-FORM [MI], gindarin, Rotundium, tetrahydropalmitine, (13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline, Hyndarin, 2-(2,3-Dimethoxy-benzyl)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline, 5,8,13,13A-TETRAHYDRO-(S)-2,3,9,10-TETRAMETHOXY-6H-DIBENZO(A,G)QUINOLIZINE, 6H-dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aS)-, Tetrahydropalmatine, dl-, Tetrahydropalmatine [MI], NSC36363, Tetrahydropalmatine (6CI), (-)-S-Tetrahydropalmatine, DTXSID20864207, UNII-3X69CO5I79, Rotundin hydrate, (13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino(3,2-a)isoquinoline, (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline, 6H-dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aS)-, (-)-Tetrahydropalmatine, L-Tetrahydropalmatine, SCHEMBL230850, CHEMBL487182, DTXCID10812752, DTXSID701020650, HMS3656M19, HMS3884J17, HY-N0096, BDBM50424077, s2437, AKOS000277105, AC-8007, CCG-268100, CS-8092, DB12093, FR27764, FR70825, NCGC00346591-01, AC-16039, AS-17459, AS-82762, DA-67292, Berbine, 2,3,9,10-tetramethoxy-(8CI), (-)-Tetrahydropalmatine, >=98% (HPLC), NS00071603, SW219613-1, T3311, C02890, Q7706555, BRD-K35719256-001-02-6, (13aS)-2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine, (S)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline, 5,8,13,13a(S)-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine, 219697-24-2, 811-160-3, L-Tetrahydropalmatine hydrate, Gindarine, Caseanine, Corydalis B, 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]is oquinoline hydrate, L-Tetrahydropalmatine, O,O-Dimethyl-N-demethyl-cyclanoline, Gindarine, (13aS)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a, g]quinolizine, L-THP
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 40.2
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CC3C(CCC4CCCCC43)CC2C1
Np Classifier Class Isoquinoline alkaloids, Protoberberine alkaloids
Deep Smiles COcccCCN[C@H]c6cc%10OC)))))CccC6)cOC))ccc6))OC
Heavy Atom Count 26.0
Classyfire Class Protoberberine alkaloids and derivatives
Scaffold Graph Node Level C1CCC2CN3CCC4CCCCC4C3CC2C1
Isotope Atom Count 0.0
Molecular Complexity 475.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id Q72547, P03372, P13726, P08908, P14416, P21728, P28223, Q9NPD5, Q9Y6L6, P35348, P35462, P21917, P21918, n.a., P0DTD1
Iupac Name (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Target Id NPT677, NPT242, NPT243, NPT244, NPT1811
Xlogp 3.2
Gsk 4 400 Rule True
Molecular Formula C21H25NO4
Scaffold Graph Node Bond Level c1ccc2c(c1)CC1c3ccccc3CCN1C2
Prediction Swissadme 1.0
Inchi Key AEQDJSLRWYMAQI-KRWDZBQOSA-N
Silicos It Class Moderately soluble
Fcsp3 0.4285714285714285
Logs -2.674
Rotatable Bond Count 4.0
Logd 3.025
Synonyms (-)-tetrahydropalmatine, gindarine, hyndarine, rotundine, tetrahydropalmatine, tetrahydropalmitine
Esol Class Moderately soluble
Functional Groups CN(C)C, cOC
Compound Name Tetrahydropalmatine
Prediction Hob Swissadme 1.0
Exact Mass 355.178
Formal Charge 0.0
Monoisotopic Mass 355.178
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 355.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.162429261538462
Inchi InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
Smiles COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)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 Achyrocline Satureioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Agathosma Bisulca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Reference:ISBN:9788172362089
  • 4. Outgoing r'ship FOUND_IN to/from Berberis Aristata (Plant) Rel Props:Reference:ISBN:9788190595216
  • 5. Outgoing r'ship FOUND_IN to/from Berberis Asiatica (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360481
  • 6. Outgoing r'ship FOUND_IN to/from Brickellia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Coptis Deltoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Coptis Teeta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Corydalis Decumbens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Corydalis Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Dovyalis Hebecarpa (Plant) Rel Props:Source_db:npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Eremophila Oppositifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Horsfieldia Iryaghedhi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Hymenoxys Ivesiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Ixeris Repens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Karwinskia Subcordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Maytenus Octogona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Medicago Hispida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Passiflora Coccinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Phellodendron Chinese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Stephania Elegans (Plant) Rel Props:Reference:ISBN:9788185042138
  • 32. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Stephania Pierrei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Taxillus Yadoriki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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