8-Epihelenalin

PubChem CID: 10400473

Connections displayed (default: 10).

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Compound Synonyms	8-Epihelenalin, 8-epi-Helenalin, 97643-91-9, CHEBI:69336, Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS,4S,4aR,7aR,8R,9aS)-, (3aS,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione, MEGxp0_001631, CHEMBL1911137, DTXSID401105758, HY-N12589, CS-0997414, Q27137677, (3aS,4S,4aR,7aR,8R,9aS)-3,3a,4,4a,7a,8,9,9a-Octahydro-4-hydroxy-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione, (3aS,4S,4aR,7aR,8R,9aS)-4-hydroxy-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	19.0
Isotope Atom Count	0.0
Molecular Complexity	506.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	(3aS,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Prediction Hob	1.0
Xlogp	1.4
Molecular Formula	C15H18O4
Prediction Swissadme	0.0
Inchi Key	ZVLOPMNVFLSSAA-GSNHZRAGSA-N
Fcsp3	0.6
Logs	-2.798
Rotatable Bond Count	0.0
Logd	1.232
Compound Name	8-Epihelenalin
Prediction Hob Swissadme	0.0
Exact Mass	262.121
Formal Charge	0.0
Monoisotopic Mass	262.121
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	262.3
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	0.0
Esol	-1.8505909999999999
Inchi	InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1
Smiles	C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Amomum Aromaticum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Chaerophyllum Aromaticum (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Cinnamomum Aromaticum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cinnamomum Tenuifolium (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Cleisostoma Tenuifolium (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Clibadium Microcephalum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Colchicum Autumnale (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Fritillaria Hupehensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Helenium Amarum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Helenium Arizonicum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Helenium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
13. Outgoing r'ship FOUND_IN to/from Helenium Autumnale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
14. Outgoing r'ship FOUND_IN to/from Helenium Bigelovii (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Helenium Elegans (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Helenium Integrifolium (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Helenium Mexicanum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Helenium Microcephalum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
19. Outgoing r'ship FOUND_IN to/from Helenium Puberulum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Helenium Quadridentatum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Helenium Tenuifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Helenium Virginicum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Helichrysum Tenuifolium (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Inula Cappa (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Inula Cuspidata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Inula Eupatorioides (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Inula Falconeri (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Inula Grandis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Inula Grantioides (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Inula Helenium (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Inula Hupehensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
33. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Inula Magnifica (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Inula Nervosa (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Inula Obtusifolia (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Inula Racemosa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Inula Rhizocephala (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Inula Royleana (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Inula Salsoloides (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Inula Thapsoides (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Lamprachaenium Microcephalum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Syzygium Aromaticum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Trixis Inula (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Zingiber Aromaticum (Plant) Rel Props:Reference:

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8-Epihelenalin

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Phytochemical Properties

Associated Connections 45

Plant Connections 45