9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

PubChem CID: 422708

Connections displayed (default: 10).

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Compound Synonyms	NSC146267, CHEMBL2002665, NSC-146267, [2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxy-phenoxy]-tetramethoxy-methyl-[?], 9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Topological Polar Surface Area	89.6
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	53.0
Isotope Atom Count	0.0
Molecular Complexity	1170.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	9-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Prediction Hob	0.0
Xlogp	6.6
Molecular Formula	C42H50N2O9
Prediction Swissadme	0.0
Inchi Key	UEKRHVIBSZVFQN-UHFFFAOYSA-N
Fcsp3	0.4285714285714285
Logs	-3.657
Rotatable Bond Count	12.0
Logd	3.931
Compound Name	9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Prediction Hob Swissadme	0.0
Exact Mass	726.352
Formal Charge	0.0
Monoisotopic Mass	726.352
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	726.9
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-8.079169739622643
Inchi	InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3
Smiles	CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC
Nring	7.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Parablechnum Minus (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Polygonum Minus (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Thalictrum Acutifolium (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Thalictrum Alpinum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Thalictrum Atriplex (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Thalictrum Baicalense (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Thalictrum Cultratum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Thalictrum Dasycarpum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Thalictrum Delavayi (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Thalictrum Elegans (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Thalictrum Faberi (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Thalictrum Fauriei (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Thalictrum Fendleri (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Thalictrum Filamentosum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Thalictrum Flavum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Thalictrum Foetidum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Thalictrum Foliolosum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Thalictrum Fortunei (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Thalictrum Glandulosissimum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Thalictrum Glaucum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Thalictrum Hernandezii (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Thalictrum Ichangense (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Thalictrum Incidum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Thalictrum Javanicum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Thalictrum Longistylum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Thalictrum Lucidum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Thalictrum Microgynum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Thalictrum Minus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
29. Outgoing r'ship FOUND_IN to/from Thalictrum Omeiense (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Thalictrum Pedunculatum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Thalictrum Petaloideum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Thalictrum Podocarpum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Thalictrum Polygamum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Thalictrum Reniforme (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Thalictrum Revolutum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Thalictrum Rugosum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Thalictrum Simplex (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Thalictrum Squarrosum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Thalictrum Strictum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Tropaeolum Minus (Plant) Rel Props:Reference:

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9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

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Phytochemical Properties

Associated Connections 40

Plant Connections 40