Pterocellin E

PubChem CID: 24770105

Connections displayed (default: 10).

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Compound Synonyms	pterocellin E, 8-methoxy-6-(8-methoxy-1-(2-methylpropyl)-5,7-dioxopyrido(4,3-b)indolizin-6-yl)-1-(2-methylpropyl)pyrido(4,3-b)indolizine-5,7-dione, 8-methoxy-6-[8-methoxy-1-(2-methylpropyl)-5,7-dioxopyrido[4,3-b]indolizin-6-yl]-1-(2-methylpropyl)pyrido[4,3-b]indolizine-5,7-dione, CHEMBL403030, 1000598-25-3
Topological Polar Surface Area	119.0
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	42.0
Isotope Atom Count	0.0
Molecular Complexity	1250.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	8-methoxy-6-[8-methoxy-1-(2-methylpropyl)-5,7-dioxopyrido[4,3-b]indolizin-6-yl]-1-(2-methylpropyl)pyrido[4,3-b]indolizine-5,7-dione
Prediction Hob	0.0
Xlogp	4.3
Molecular Formula	C32H30N4O6
Prediction Swissadme	0.0
Inchi Key	LYLGSTUCVSNTAR-UHFFFAOYSA-N
Fcsp3	0.3125
Logs	-4.636
Rotatable Bond Count	7.0
Logd	2.243
Compound Name	Pterocellin E
Prediction Hob Swissadme	0.0
Exact Mass	566.217
Formal Charge	0.0
Monoisotopic Mass	566.217
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	566.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-7.547463942857145
Inchi	InChI=1S/C32H30N4O6/c1-15(2)11-19-25-17(7-9-33-19)29(37)27-23(31(39)21(41-5)13-35(25)27)24-28-30(38)18-8-10-34-20(12-16(3)4)26(18)36(28)14-22(42-6)32(24)40/h7-10,13-16H,11-12H2,1-6H3
Smiles	CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C(=C3C2=O)C4=C5C(=O)C6=C(N5C=C(C4=O)OC)C(=NC=C6)CC(C)C)OC
Nring	6.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acalypha Fruticosa (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Adenia Fruticosa (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Amorpha Fruticosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Breynia Fruticosa (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cadaba Fruticosa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Caryota Mitis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
13. Outgoing r'ship FOUND_IN to/from Chaenomeles Speciosa (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Cipadessa Fruticosa (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Citrus Mitis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Cordyline Fruticosa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Dasiphora Fruticosa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Elsholtzia Fruticosa (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Holarrhena Mitis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Kopsia Fruticosa (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Neorautanenia Ficifolia (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Neorautanenia Mitis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
35. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Otostegia Fruticosa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Polygala Fruticosa (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Polyscias Fruticosa (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Relhania Pumila (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Salacia Fruticosa (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Staehelina Fruticosa (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Stylosanthes Fruticosa (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Suaeda Fruticosa (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Trifolium Fruticosa (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Woodfordia Fruticosa (Plant) Rel Props:Reference:

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Pterocellin E

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Phytochemical Properties

Associated Connections 55

Plant Connections 55