Pseudaconitine

PubChem CID: 441752

Connections displayed (default: 10).

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Compound Synonyms	Pseudoaconitine, Pseudaconitine, CHEBI:8601, [(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate, CHEMBL509646, (rac)-Pseudaconitine, C08704, Q2074372
Topological Polar Surface Area	152.0
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	49.0
Isotope Atom Count	0.0
Molecular Complexity	1290.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	13.0
Iupac Name	[(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate
Prediction Hob	0.0
Xlogp	1.2
Molecular Formula	C36H51NO12
Prediction Swissadme	0.0
Inchi Key	YVPYMQHYESYLIR-CERQHTHQSA-N
Fcsp3	0.7777777777777778
Logs	-3.84
Rotatable Bond Count	13.0
Logd	1.688
Compound Name	Pseudaconitine
Prediction Hob Swissadme	0.0
Exact Mass	689.341
Formal Charge	0.0
Monoisotopic Mass	689.341
Hydrogen Bond Acceptor Count	13.0
Molecular Weight	689.8
Covalent Unit Count	1.0
Total Atom Stereocenter Count	14.0
Total Bond Stereocenter Count	0.0
Esol	-4.099066044897961
Inchi	InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1
Smiles	CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OC(=O)C)OC)OC)O)COC
Nring	7.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aconitum Anthora (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aconitum Balfourii (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aconitum Bisma (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aconitum Brachypodum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aconitum Brevicalcaratum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aconitum Bullatifolium (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aconitum Bulleyanum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Aconitum Burnatii (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aconitum Campylorrhynchum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aconitum Carmichaelii (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aconitum Chasmanthum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Aconitum Chrysotrichum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Aconitum Ciliare (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Aconitum Contortum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Aconitum Coreanum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Aconitum Elwesii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Aconitum Episcopale (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Aconitum Excelsum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Aconitum Falconeri (Plant) Rel Props:Source_db:npass_chem_all
20. Outgoing r'ship FOUND_IN to/from Aconitum Fauriei (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Aconitum Ferox (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Aconitum Finetianum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Aconitum Fischeri (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Aconitum Forrestii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Aconitum Geniculatum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Aconitum Gymnandrum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Aconitum Habaense (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Aconitum Hemsleyanum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Aconitum Heterophylloides (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Aconitum Heterophyllum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Aconitum Hookeri (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Aconitum Japonicum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Aconitum Kamtschaticum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Aconitum Karakolicum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Aconitum Kirinense (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Aconitum Kongboense (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Aconitum Koreanum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Aconitum Kusnezoffii (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Aconitum Laeve (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Aconitum Legendrei (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Aconitum Lethale (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Aconitum Leucostomum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Aconitum Likiangense (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Aconitum Liljestrandii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Aconitum Lucidusculum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Aconitum Lycoctonum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Aconitum Nagarum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Aconitum Napellus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Aconitum Naviculare (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Aconitum Nemorum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Aconitum Nevadense (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Aconitum Novuluridum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Aconitum Orientale (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Aconitum Palmatum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Aconitum Pendulum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Aconitum Polyschistum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Aconitum Pseudohuiliense (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Aconitum Richardsonianum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Aconitum Rotundifolium (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Aconitum Sachalinense (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Aconitum Sajanense (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Aconitum Seravschanicum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Aconitum Soongaricum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Aconitum Subcuneatum (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Aconitum Sungpanense (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Aconitum Talassicum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Aconitum Tanguticum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Aconitum Tasiromontanum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Aconitum Tianschanicum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Aconitum Triphyllum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Aconitum Umbrosum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Aconitum Variegatum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorini (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorinianum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Aconitum Violaceum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Aconitum Volubile (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Aster Falconeri (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Cousinia Falconeri (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Doronicum Falconeri (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Inula Falconeri (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Rhododendron Falconeri (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 83

Plant Connections 83