Eupachinilide A

PubChem CID: 21578008

Connections displayed (default: 10).

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Compound Synonyms	EUPACHINILIDE A, ((3aR,4R,8S,9R,9aS,9bS)-8,9-dihydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno(4,5-b)furan-4-yl) (Z)-2-methylbut-2-enoate, [(3aR,4R,8S,9R,9aS,9bS)-8,9-dihydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate, CHEMBL516684, 691851-90-8
Topological Polar Surface Area	113.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	27.0
Isotope Atom Count	0.0
Molecular Complexity	749.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	[(3aR,4R,8S,9R,9aS,9bS)-8,9-dihydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
Prediction Hob	1.0
Xlogp	-0.1
Molecular Formula	C20H26O7
Prediction Swissadme	1.0
Inchi Key	CITDRWAOOHPFCD-XFTYBKLESA-N
Fcsp3	0.6
Logs	-2.652
Rotatable Bond Count	4.0
Logd	0.731
Compound Name	Eupachinilide A
Prediction Hob Swissadme	1.0
Exact Mass	378.168
Formal Charge	0.0
Monoisotopic Mass	378.168
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	378.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	1.0
Esol	-1.8655102000000008
Inchi	InChI=1S/C20H26O7/c1-5-9(2)18(23)26-13-6-11(8-21)12-7-14(22)20(4,25)16(12)17-15(13)10(3)19(24)27-17/h5,13-17,21-22,25H,3,6-8H2,1-2,4H3/b9-5-/t13-,14+,15-,16+,17+,20+/m1/s1
Smiles	C/C=C(/C)\C(=O)O[C@@H]1CC(=C2C[C@@H]([C@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(C)O)O)CO
Nring	3.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Alangium Chinense (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cirsium Chinense (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Eupatorium Adenophorum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Eupatorium Altissimum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Eupatorium Areolare (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Eupatorium Argentinum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Eupatorium Ayapana (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Eupatorium Azureum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Eupatorium Birmanicum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Eupatorium Cannabinum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Eupatorium Capillifolium (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
19. Outgoing r'ship FOUND_IN to/from Eupatorium Compositifolium (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Eupatorium Cuneifolium (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Eupatorium Formosanum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Eupatorium Fortunei (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Eupatorium Glehni (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Eupatorium Glutinosum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Eupatorium Gracile (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Eupatorium Havanense (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Eupatorium Hyssopifolium (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Eupatorium Inulifolium (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Eupatorium Japonicum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Eupatorium Laevigatum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Eupatorium Lancifolium (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Eupatorium Leucolepis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Eupatorium Lindleyanum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Eupatorium Mikanioides (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Eupatorium Odenophorum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Eupatorium Odoratum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Eupatorium Petiolare (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Eupatorium Rebaudianum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Eupatorium Recurvans (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Eupatorium Riparium (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Eupatorium Rotundifolium (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Eupatorium Sachalinense (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Eupatorium Semiserratum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Eupatorium Sternbergianum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Eupatorium Subhastatum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Eupatorium Urticaefolium (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:

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Eupachinilide A

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Phytochemical Properties

Associated Connections 56

Plant Connections 56