CID 44579992

PubChem CID: 44579992

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL484679
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	24.0
Isotope Atom Count	0.0
Molecular Complexity	665.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	[(3aS,6aS,8S,9aR,9bS)-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] 3-methylbut-2-enoate
Prediction Hob	1.0
Xlogp	3.3
Molecular Formula	C20H24O4
Prediction Swissadme	1.0
Inchi Key	CEKDWOBPPFOCDL-MGGVOPSTSA-N
Fcsp3	0.5
Logs	-3.91
Rotatable Bond Count	3.0
Logd	2.942
Compound Name	CID 44579992
Prediction Hob Swissadme	1.0
Exact Mass	328.167
Formal Charge	0.0
Monoisotopic Mass	328.167
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	328.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Esol	-3.782329600000001
Inchi	InChI=1S/C20H24O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h8,14-16,18-19H,3-7,9H2,1-2H3/t14-,15+,16-,18-,19-/m0/s1
Smiles	CC(=CC(=O)O[C@H]1C[C@H]2[C@H](C1=C)[C@@H]3[C@@H](CCC2=C)C(=C)C(=O)O3)C
Nring	3.0
Defined Bond Stereocenter Count	0.0

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 Asteraceae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Baccharoides Anthelmintica (Plant) Rel Props:Source_db:npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Baccharoides Lasiopus (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Chrysolaena Propinqua (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cirsium Chinense (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Crepis Flexuosa (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Traversia Baccharoides (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Vernonia Anisochaetoides (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Vernonia Anthelmintica (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Vernonia Arborea (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Vernonia Arctioides (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Vernonia Aurea (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Vernonia Brevifolia (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Source_db:npass_chem_all
32. Outgoing r'ship FOUND_IN to/from Vernonia Chloropappa (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Vernonia Cinerea (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Vernonia Cistifolia (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Vernonia Colorata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Vernonia Condensata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Vernonia Echitifolia (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Vernonia Esculenta (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Vernonia Fagifolia (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Vernonia Flexuosa (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Vernonia Guineensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Vernonia Lanuginosa (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Vernonia Leopoldi (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Vernonia Lilacina (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Vernonia Megapotamica (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Vernonia Menthaefolia (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Vernonia Pachyclada (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Vernonia Profuga (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Vernonia Pyramidale (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Vernonia Scorpioides (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Vernonia Serratuloides (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Vernonia Steetziana (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Vernonia Tufnellae (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Vernonia Volkameriaefolia (Plant) Rel Props:Reference:

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CID 44579992

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Phytochemical Properties

Associated Connections 54

Plant Connections 54