Oregonoyl A

PubChem CID: 44602673

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	oregonoyl A, ((2S,3R,4S,5R)-2-((3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl)oxy-4,5-dihydroxyoxan-3-yl) (E)-3-(4-hydroxyphenyl)prop-2-enoate, [(2S,3R,4S,5R)-2-[(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate, CHEMBL590724
Topological Polar Surface Area	203.0
Hydrogen Bond Donor Count	7.0
Heavy Atom Count	45.0
Isotope Atom Count	0.0
Molecular Complexity	952.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	[(2S,3R,4S,5R)-2-[(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Prediction Hob	0.0
Xlogp	2.8
Molecular Formula	C33H36O12
Prediction Swissadme	0.0
Inchi Key	QIBTYQFSZFGWCS-YETGDIJESA-N
Fcsp3	0.3333333333333333
Logs	-3.439
Rotatable Bond Count	14.0
Logd	1.995
Compound Name	Oregonoyl A
Prediction Hob Swissadme	0.0
Exact Mass	624.221
Formal Charge	0.0
Monoisotopic Mass	624.221
Hydrogen Bond Acceptor Count	12.0
Molecular Weight	624.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	1.0
Esol	-4.861361800000003
Inchi	InChI=1S/C33H36O12/c34-22-8-1-19(2-9-22)7-14-30(41)45-32-31(42)29(40)18-43-33(32)44-24(11-4-21-6-13-26(37)28(39)16-21)17-23(35)10-3-20-5-12-25(36)27(38)15-20/h1-2,5-9,12-16,24,29,31-34,36-40,42H,3-4,10-11,17-18H2/b14-7+/t24-,29+,31-,32+,33-/m0/s1
Smiles	C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](CCC2=CC(=C(C=C2)O)O)CC(=O)CCC3=CC(=C(C=C3)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O)O
Nring	4.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alnus Alnobetula (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Alnus Cordata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Alnus Firma (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Alnus Glutinosa (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Alnus Nepalensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Alnus Nitida (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Alnus Serrulata (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Alnus Sieboldiana (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Ampelopsis Japonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Atractylodes Japonica (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Aucuba Japonica (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Balanophora Japonica (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Bazzania Japonica (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Callicarpa Japonica (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Camellia Japonica (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Cayratia Japonica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Chionographis Japonica (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Cimicifuga Japonica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Cleyera Japonica (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Conyza Japonica (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Coriaria Japonica (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Croomia Japonica (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Diospyros Japonica (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Euchresta Japonica (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Eurya Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Euscaphis Japonica (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Forsythia Japonica (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Frangula Alnus (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Fraxinus Japonica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Gleditsia Japonica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Gynura Japonica (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Hemionitis Japonica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Isodon Japonica (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Kerria Japonica (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Korthalsella Japonica (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Oregonoyl A

Graph

Phytochemical Properties

Associated Connections 98

Plant Connections 98