Aconosine
PubChem CID: 170126
Connections displayed (default: 10).
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| Compound Synonyms | Aconosine, Acnosine, 38839-95-1, BRN 1491936, 11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol, Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-, (1-alpha,14-alpha,16-beta)-, 20-ethyl-1,16-dimethoxyaconitane-8,14-diol, 11-ethyl-6,16-dimethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,8-diol, DTXSID60959626, 1alpha, 16beta-Dimethoxy, 8beta,14alpha-dihydroxy, N-ethylaconitane hydrochloride, Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-, (1alpha,14alpha,16beta)- |
|---|---|
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 644.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol |
| Prediction Hob | 0.0 |
| Xlogp | 1.2 |
| Molecular Formula | C22H35NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCOQRRVEIUTMFC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.582 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.793 |
| Compound Name | Aconosine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 377.257 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 377.257 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 377.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7386550000000005 |
| Inchi | InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3 |
| Smiles | CCN1CC2CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Anthora (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aconitum Balfourii (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aconitum Bisma (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Aconitum Brachypodum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Aconitum Brevicalcaratum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aconitum Bullatifolium (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Aconitum Bulleyanum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Aconitum Burnatii (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Aconitum Campylorrhynchum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Aconitum Carmichaelii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Aconitum Chasmanthum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Aconitum Chrysotrichum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Aconitum Ciliare (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Aconitum Contortum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Aconitum Coreanum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Aconitum Elwesii (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Aconitum Episcopale (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Aconitum Excelsum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Aconitum Falconeri (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Aconitum Fauriei (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Aconitum Ferox (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Aconitum Finetianum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Aconitum Fischeri (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Aconitum Forrestii (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Aconitum Geniculatum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Aconitum Gigas (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Aconitum Gymnandrum (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Aconitum Habaense (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Aconitum Hemsleyanum (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Aconitum Heterophylloides (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Aconitum Heterophyllum (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Aconitum Hookeri (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Aconitum Japonicum (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Aconitum Kamtschaticum (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Aconitum Karakolicum (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Aconitum Kirinense (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Aconitum Kongboense (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Aconitum Koreanum (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Aconitum Kusnezoffii (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Aconitum Laeve (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Aconitum Legendrei (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Aconitum Lethale (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Aconitum Leucostomum (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Aconitum Likiangense (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Aconitum Liljestrandii (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Aconitum Lucidusculum (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Aconitum Lycoctonum (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Aconitum Nagarum (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Aconitum Napellus (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Aconitum Naviculare (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Aconitum Nemorum (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Aconitum Nevadense (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Aconitum Novuluridum (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Aconitum Orientale (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Aconitum Palmatum (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Aconitum Pendulum (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Aconitum Polyschistum (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Aconitum Pseudohuiliense (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Aconitum Richardsonianum (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Aconitum Rotundifolium (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Aconitum Sachalinense (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Aconitum Sajanense (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Aconitum Seravschanicum (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Aconitum Soongaricum (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Aconitum Subcuneatum (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Aconitum Sungpanense (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Aconitum Talassicum (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Aconitum Tanguticum (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Aconitum Tasiromontanum (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Aconitum Tianschanicum (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Aconitum Triphyllum (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Aconitum Umbrosum (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Aconitum Variegatum (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Aconitum Vilmorini (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Aconitum Vilmorinianum (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Aconitum Violaceum (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Aconitum Volubile (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Aconitum Zuccarini (Plant) Rel Props:Reference: