Secoxyloganin methyl ester

PubChem CID: 14105070

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Secoxyloganin methyl ester, 74713-15-8, Dimethyl secologanoside, methyl (2S,3R,4S)-3-ethenyl-4-(2-methoxy-2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate, Secoxyloganinmethylester, Dimethyl secologanoside, Secologanoside dimethyl ester, CHEMBL3092673, HY-N1277, AKOS032948725, FS-9009, DA-67518, CS-0016681, METHYL (4S,5R,6S)-5-ETHENYL-4-(2-METHOXY-2-OXOETHYL)-6-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5,6-DIHYDRO-4H-PYRAN-3-CARBOXYLATE
Topological Polar Surface Area	161.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	29.0
Isotope Atom Count	0.0
Molecular Complexity	633.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Uniprot Id	n.a.
Iupac Name	methyl (2S,3R,4S)-3-ethenyl-4-(2-methoxy-2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Prediction Hob	0.0
Xlogp	-1.2
Molecular Formula	C18H26O11
Prediction Swissadme	0.0
Inchi Key	MPCHHOVJEMEKKG-VPNMNMBESA-N
Fcsp3	0.6666666666666666
Logs	-1.024
Rotatable Bond Count	9.0
Logd	0.088
Compound Name	Secoxyloganin methyl ester
Prediction Hob Swissadme	0.0
Exact Mass	418.148
Formal Charge	0.0
Monoisotopic Mass	418.148
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	418.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-1.0651490000000012
Inchi	InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7-9,11,13-15,17-19,21-23H,1,5-6H2,2-3H3/t8-,9+,11-,13-,14+,15-,17+,18+/m1/s1
Smiles	COC(=O)C[C@H]1[C@H]([C@@H](OC=C1C(=O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=C
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acacia Confusa (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Ampelopsis Japonica (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Atractylodes Japonica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Aucuba Japonica (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Balanophora Japonica (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Bazzania Japonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Callicarpa Japonica (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Camellia Japonica (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Cayratia Japonica (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Chionographis Japonica (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Cimicifuga Japonica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Cleyera Japonica (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Commiphora Confusa (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Conyza Japonica (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Coriaria Japonica (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Croomia Japonica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Dimocarpus Fumatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
34. Outgoing r'ship FOUND_IN to/from Dimocarpus Longan (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Dioscorea Collettii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Diospyros Japonica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Euchresta Japonica (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Eurya Japonica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Euscaphis Japonica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Forsythia Japonica (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Fraxinus Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Garcinia Lateriflora (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Gleditsia Japonica (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Gynura Japonica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Hemionitis Japonica (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Isodon Japonica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Kerria Japonica (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Korthalsella Japonica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Lonicera Angustifolia (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Lonicera Bournei (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Lonicera Caerulea (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Lonicera Confusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
62. Outgoing r'ship FOUND_IN to/from Lonicera Confuse (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Lonicera Dasystyla (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Lonicera Fulvotomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
65. Outgoing r'ship FOUND_IN to/from Lonicera Hypoglauca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
66. Outgoing r'ship FOUND_IN to/from Lonicera Hypoleuca (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Lonicera Implexa (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
69. Outgoing r'ship FOUND_IN to/from Lonicera Korolkowii (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Lonicera Leschenaultii (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Lonicera Macrantha (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Lonicera Macranthoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
73. Outgoing r'ship FOUND_IN to/from Lonicera Morrowii (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Lonicera Periclymenum (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Lonicera Quinquelocularis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Lonicera Similis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Lonicera Spinosa (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Lonicera Tatarica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Ochrosia Confusa (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Picrasma Ailanthoides (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Polyscias Scutellaria (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Portulaca Grandiflora (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Portulaca Guadrifida (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Portulaca Obracea (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Portulaca Oleracea (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Portulaca Pilosa (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Portulaca Quadrifida (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Portulaca Tuberosa (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Scutellaria Albida (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Scutellaria Altissima (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Scutellaria Baicalensis (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Scutellaria Balcalensis (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Scutellaria Barbata (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Scutellaria Discolor (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Scutellaria Epilobifolia (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Scutellaria Galericulata (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Scutellaria Hypericifolia (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Scutellaria Indica (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Scutellaria Lateriflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
127. Outgoing r'ship FOUND_IN to/from Scutellaria Likiangensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Scutellaria Prostata (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Scutellaria Przewalskii (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Scutellaria Rehderiana (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Scutellaria Scandens (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Scutellaria Seleriana (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Scutellaria Sieberi (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Scutellaria Viscidula (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Strophanthus Eminii (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fagara (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Secoxyloganin methyl ester

Graph

Phytochemical Properties

Associated Connections 150

Plant Connections 150