Thalifaberine

PubChem CID: 159246

Connections displayed (default: 10).

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Compound Synonyms	Thalifaberine, (+)-Thalifaberine, 88313-32-0, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-8-(4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aS)-, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-8-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (S-(R,R))-, (6aS)-8-(4-(((1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)phenoxy)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline, (6aS)-8-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline, CHEMBL498913, DTXSID801008055, 8-{4-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Topological Polar Surface Area	80.3
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	51.0
Isotope Atom Count	0.0
Molecular Complexity	1110.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Uniprot Id	n.a.
Iupac Name	(6aS)-8-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Prediction Hob	0.0
Xlogp	6.7
Molecular Formula	C41H48N2O8
Prediction Swissadme	0.0
Inchi Key	RRKYSGHTIGWTJQ-CONSDPRKSA-N
Fcsp3	0.4146341463414634
Logs	-4.451
Rotatable Bond Count	11.0
Logd	3.818
Compound Name	Thalifaberine
Prediction Hob Swissadme	0.0
Exact Mass	696.341
Formal Charge	0.0
Monoisotopic Mass	696.341
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	696.8
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-7.991049494117647
Inchi	InChI=1S/C41H48N2O8/c1-42-16-14-24-19-32(44-3)33(45-4)21-27(24)30(42)18-23-10-12-25(13-11-23)51-38-29-20-31-35-26(15-17-43(31)2)37(47-6)41(50-9)40(49-8)36(35)28(29)22-34(46-5)39(38)48-7/h10-13,19,21-22,30-31H,14-18,20H2,1-9H3/t30-,31-/m0/s1
Smiles	CN1CCC2=C3[C@@H]1CC4=C(C(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC
Nring	7.0
Defined Bond Stereocenter Count	0.0

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

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Thalifaberine

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Phytochemical Properties

Associated Connections 40

Plant Connections 40