Eupachlorin

PubChem CID: 5281446

Connections displayed (default: 10).

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Compound Synonyms	EUPACHLORIN, 20071-50-5, CHEBI:4920, [(3aR,4R,6R,6aR,7R,9aS,9bS)-6-(chloromethyl)-6,7,9a-trihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate, CHEMBL437014, C09416, DTXSID801099064, Q27106546, (3aR,4R,6R,6aR,7R,9aS,9bS)-6-(Chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,7,9a-trihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate
Topological Polar Surface Area	113.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	28.0
Isotope Atom Count	0.0
Molecular Complexity	787.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Iupac Name	[(3aR,4R,6R,6aR,7R,9aS,9bS)-6-(chloromethyl)-6,7,9a-trihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
Prediction Hob	1.0
Xlogp	0.6
Molecular Formula	C20H25ClO7
Prediction Swissadme	1.0
Inchi Key	VCAKAFVZYNRGKS-WBNZXOOCSA-N
Fcsp3	0.6
Logs	-2.565
Rotatable Bond Count	4.0
Logd	0.599
Compound Name	Eupachlorin
Prediction Hob Swissadme	1.0
Exact Mass	412.129
Formal Charge	0.0
Monoisotopic Mass	412.129
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	412.9
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	1.0
Esol	-2.6712692000000002
Inchi	InChI=1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1
Smiles	C/C=C(/C)\C(=O)O[C@@H]1C[C@@]([C@@H]2[C@@H](C=C([C@@]2([C@@H]3[C@@H]1C(=C)C(=O)O3)O)C)O)(CCl)O
Nring	3.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Aconitum Rotundifolium (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Asteraceae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Bupleurum Rotundifolium (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Eupatorium Adenophorum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Eupatorium Altissimum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Eupatorium Areolare (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Eupatorium Argentinum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Eupatorium Ayapana (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Eupatorium Azureum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Eupatorium Birmanicum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Eupatorium Cannabinum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Eupatorium Capillifolium (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Eupatorium Compositifolium (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Eupatorium Cuneifolium (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Eupatorium Formosanum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Eupatorium Fortunei (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Eupatorium Glehni (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Eupatorium Glutinosum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Eupatorium Gracile (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Eupatorium Havanense (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Eupatorium Hyssopifolium (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Eupatorium Inulifolium (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Eupatorium Japonicum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Eupatorium Laevigatum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Eupatorium Lancifolium (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Eupatorium Leucolepis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Eupatorium Lindleyanum (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Eupatorium Mikanioides (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Eupatorium Odenophorum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Eupatorium Odoratum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Eupatorium Petiolare (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Eupatorium Rebaudianum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Eupatorium Recurvans (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Eupatorium Riparium (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Eupatorium Rotundifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
37. Outgoing r'ship FOUND_IN to/from Eupatorium Sachalinense (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Eupatorium Semiserratum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Eupatorium Sternbergianum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Eupatorium Subhastatum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Eupatorium Urticaefolium (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Galium Rotundifolium (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Heliotropium Rotundifolium (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Schistostephium Rotundifolium (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Stylotrichium Rotundifolium (Plant) Rel Props:Reference:

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Eupachlorin

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Phytochemical Properties

Associated Connections 45

Plant Connections 45