(1R,4R,6R,7S,8aR)-7-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-6-ethyl-4-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium-1,3'-indole]-2'-olate

PubChem CID: 53322220

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL1668784
Topological Polar Surface Area	71.0
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	29.0
Isotope Atom Count	0.0
Molecular Complexity	720.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	(1R,4R,6R,7S,8aR)-7-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-6-ethyl-4-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium-1,3'-indole]-2'-olate
Prediction Hob	1.0
Xlogp	3.3
Molecular Formula	C23H30N2O4
Prediction Swissadme	1.0
Inchi Key	QVNYBASBMONTJV-VSDFPOAWSA-N
Fcsp3	0.5652173913043478
Logs	-0.898
Rotatable Bond Count	5.0
Logd	1.413
Compound Name	(1R,4R,6R,7S,8aR)-7-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-6-ethyl-4-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium-1,3'-indole]-2'-olate
Prediction Hob Swissadme	1.0
Exact Mass	398.221
Formal Charge	0.0
Monoisotopic Mass	398.221
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	398.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	1.0
Esol	-3.8033220482758634
Inchi	InChI=1S/C23H30N2O4/c1-5-15-13-25(2)11-10-23(18-8-6-7-9-19(18)24-22(23)27)20(25)12-16(15)17(14-28-3)21(26)29-4/h6-9,14-16,20H,5,10-13H2,1-4H3/b17-14-/t15-,16-,20+,23+,25+/m0/s1
Smiles	CC[C@H]1C[N@+]2(CC[C@]3([C@H]2C[C@@H]1/C(=C/OC)/C(=O)OC)C4=CC=CC=C4N=C3[O-])C
Nring	4.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Achillea Macrophylla (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agathis Macrophylla (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alibertia Macrophylla (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alstonia Macrophylla (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Boehmeria Macrophylla (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Callicarpa Macrophylla (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Chionanthus Macrophylla (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Chonemorpha Macrophylla (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Clethra Macrophylla (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Cornus Macrophylla (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Cunonia Macrophylla (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Flemingia Macrophylla (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Gentiana Macrophylla (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Glycosmis Macrophylla (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Hydrangea Macrophylla (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Leea Macrophylla (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Ligularia Macrophylla (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Maesa Macrophylla (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Mitragyna Macrophylla (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Nicotiana Macrophylla (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Othonna Macrophylla (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Oxytropis Macrophylla (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Pentaclethra Macrophylla (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Primula Macrophylla (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Rabdosia Macrophylla (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Rosa Macrophylla (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Smilax Macrophylla (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Swietenia Macrophylla (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Uncaria Acida (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Uncaria Attenuata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Uncaria Borneensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Uncaria Callophylla (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Uncaria Canescens (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Uncaria Cordata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Uncaria Donisii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Uncaria Elliptica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Uncaria Gambier (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Uncaria Gambir (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Uncaria Guianensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Uncaria Hirsuta (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Uncaria Homomalla (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Uncaria Kawakamii (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Uncaria Laevigata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Uncaria Lancifolia (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Uncaria Lanosa (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Uncaria Longiflora (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
50. Outgoing r'ship FOUND_IN to/from Uncaria Nervosa (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Uncaria Perrottetii (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Uncaria Quadrangularis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Uncaria Rhynchophylla (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Uncaria Scandens (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Uncaria Sessilifructus (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Uncaria Sterrophylla (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Uncaria Veluntina (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Reference:

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(1R,4R,6R,7S,8aR)-7-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-6-ethyl-4-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium-1,3'-indole]-2'-olate

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Phytochemical Properties

Associated Connections 61

Plant Connections 61