Berfussinol

PubChem CID: 54586911

Connections displayed (default: 10).

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Compound Synonyms	BERFUSSINOL, CHEMBL1760595, methyl (2S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)propanoate
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	18.0
Isotope Atom Count	0.0
Molecular Complexity	255.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	methyl (2S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)propanoate
Prediction Hob	1.0
Xlogp	0.6
Molecular Formula	C12H16O6
Prediction Swissadme	1.0
Inchi Key	YGUTYWCRKWUWOT-MRVPVSSYSA-N
Fcsp3	0.4166666666666667
Logs	-1.647
Rotatable Bond Count	6.0
Logd	0.967
Compound Name	Berfussinol
Prediction Hob Swissadme	1.0
Exact Mass	256.095
Formal Charge	0.0
Monoisotopic Mass	256.095
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	256.25
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-1.6889414666666664
Inchi	InChI=1S/C12H16O6/c1-16-9-4-7(5-10(17-2)11(9)14)8(6-13)12(15)18-3/h4-5,8,13-14H,6H2,1-3H3/t8-/m1/s1
Smiles	COC1=CC(=CC(=C1O)OC)[C@@H](CO)C(=O)OC
Nring	1.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Abies Koreana (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Astilbe Koreana (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Berberis Actinacantha (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Berberis Amurensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Berberis Aristata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Berberis Asiatica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Berberis Baluchistanica (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Berberis Brandisiana (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Berberis Chitria (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Berberis Concinna (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Berberis Coriaria (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Berberis Crataegina (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Berberis Darwinii (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Berberis Diaphana (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Berberis Dictyophylla (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Berberis Dubia (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Berberis Floribunda (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Berberis Fortunei (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Berberis Ichiana (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Berberis Insignis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Berberis Integerrima (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Berberis Jaeschkeana (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Berberis Julianae (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Berberis Kawakamii (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Berberis Koreana (Plant) Rel Props:Source_db:npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Berberis Lambertii (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Berberis Laurina (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Berberis Lycium (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Berberis Nepalensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Berberis Oblonga (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Berberis Orthobotrys (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Berberis Pachyacantha (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Berberis Petiolaris (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Berberis Poiretii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Berberis Potaninii (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Berberis Pseudumbellata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Berberis Repens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Berberis Thunbergii (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Berberis Tinctoria (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Berberis Tschonoskiana (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Berberis Ulcina (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Berberis Umbellata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Berberis Valdiviana (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Berberis Virescens (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Berberis Wallichiana (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Berberis Wilsonae (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Berberis Zycium (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Cephalotaxus Koreana (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Forsythia Koreana (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Populus Koreana (Plant) Rel Props:Reference:

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Berfussinol

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Phytochemical Properties

Associated Connections 52

Plant Connections 52