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6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-

PubChem CID: 5417

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Compound Synonyms tetrahydropalmatine, 2934-97-6, DL-Tetrahydropalmatine, 10097-84-4, 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, MFCD03265591, Hyndarin, 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline, Tetrahydropalmatine, (+/-)-, CHEMBL187892, 78F8583LNQ, ROTUNDINUM, 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline, 2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline, Palmatine, Tetrahydro derivative of, GNF-Pf-3943, Tetrahydropalmatine, dl-, Tetrahydropalmatine [MI], (+-)-Corydalis B, DTXSID20864207, 6H-Dibenzo[a,g]quinolizine,5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, UNII-78F8583LNQ, (-)-Tetrahydropalmatine, L-Tetrahydropalmatine, Spectrum_001554, SpecPlus_000956, Spectrum2_000736, Spectrum3_001650, Spectrum4_001749, Spectrum5_000578, Tetrahydropalmatine ,(S), Oprea1_616043, Oprea1_801288, BSPBio_003379, KBioGR_002198, KBioSS_002034, MLS006011812, DivK1c_007052, SCHEMBL230849, SPECTRUM1504178, Tetrahydropalmatine (Standard), SPBio_000692, MEGxp0_000623, ACon1_002069, CHEBI:91709, HY-N0300R, KBio1_001996, KBio2_002034, KBio2_004602, KBio2_007170, KBio3_002599, HMS3428E01, HMS3886C12, BCP13567, HY-N0300, BBL028394, BDBM50170666, CCG-40142, MFCD00214191, s5559, STK395032, AKOS000276804, AKOS016186982, FD10012, FT66540, SDCCGMLS-0015237.P002, 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (+-)-, NCGC00073008-02, NCGC00073008-03, NCGC00073008-04, NCGC00095840-01, NCGC00095840-02, NCGC00095840-03, 1ST10243, AS-12924, SMR004703491, SY108222, DB-047567, T3650, A19519, AB00053100-09, AA-504/21003028, AE-508/21133034, AE-508/21133037, AN-706/21186100, BRD-A43940795-001-02-8, BRD-A43940795-001-03-6, Q27163527, 3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene, 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H- dibenzo[a,g]quinolizine, 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline, 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (.+/-.)-
Topological Polar Surface Area 40.2
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
Uniprot Id Q99720, P08684, P13726, Q9NUW8, n.a.
Iupac Name 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Prediction Hob 1.0
Target Id NPT296, NPT109, NPT677
Xlogp 3.2
Molecular Formula C21H25NO4
Prediction Swissadme 1.0
Inchi Key AEQDJSLRWYMAQI-UHFFFAOYSA-N
Fcsp3 0.4285714285714285
Logs -2.443
Rotatable Bond Count 4.0
Logd 3.035
Compound Name 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-
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
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
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
Smiles COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Coptis Deltoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Coptis Teeta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Corydalis Decumbens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Corydalis Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Corydalis Racemosa (Plant) Rel Props:Source_db:npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Corydalis Remota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Phellodendron Chinese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Stephania Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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