Isorhamnetin-3-O-neohespeidoside

PubChem CID: 11664505

Connections displayed (default: 10).

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Compound Synonyms	55033-90-4, Isorhamnetin-3-O-neohespeidoside, Isorhamnetin-3-O-nehesperidine, Isorhamnetin 3-O-neohesperoside, isorhamnetin 3-O-neohesperidoside, CALENDOFLAVOSIDE, 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one, Isorhamnetin 3-O-neohesperidin, Isorhamnetin 3-O-neohesperidine, Isorhamnetin 3-O-neohespeidoside, 3-{[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}OXAN-2-YL]OXY}-5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)CHROMEN-4-ONE, Isorhamnetin 3-neohesperoside, CHEMBL442566, EX-A8002M, HY-N0778R, CHEBI:189462, DTXSID201298666, HY-N0778, AKOS037514705, OC33287, AS-75911, DA-54451, Isorhamnetin-3-O-neohespeidoside (Standard), CS-0009798, NCGC00385828-01!3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Topological Polar Surface Area	255.0
Hydrogen Bond Donor Count	9.0
Heavy Atom Count	44.0
Description	Isorhamnetin 3-neohesperoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Isorhamnetin 3-neohesperoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-neohesperoside can be found in corn, which makes isorhamnetin 3-neohesperoside a potential biomarker for the consumption of this food product.
Isotope Atom Count	0.0
Molecular Complexity	1040.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	10.0
Uniprot Id	P03372
Iupac Name	3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Prediction Hob	0.0
Class	Flavonoids
Xlogp	-0.4
Superclass	Phenylpropanoids and polyketides
Subclass	Flavonoid glycosides
Molecular Formula	C28H32O16
Prediction Swissadme	0.0
Inchi Key	QHLKSZBFIJJREC-SPSUIZEHSA-N
Fcsp3	0.4642857142857143
Logs	-3.955
Rotatable Bond Count	7.0
Logd	-0.091
Synonyms	Isorhamnetin 3-O-neohesperoside, Isorhamnetin 3-O-neohesperidoside
Compound Name	Isorhamnetin-3-O-neohespeidoside
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	624.169
Formal Charge	0.0
Monoisotopic Mass	624.169
Hydrogen Bond Acceptor Count	16.0
Molecular Weight	624.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Esol	-2.895588509090911
Inchi	InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m0/s1
Smiles	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)CO)O)O)O)O)O
Nring	5.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Flavonoid-3-O-glycosides

1. Outgoing r'ship FOUND_IN to/from Agave Angustifolia (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alisma Orientalis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alstonia Angustifolia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Althaea Officinalis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Althea Officinalis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Anchusa Officinalis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Araucaria Angustifolia (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Arctotheca Calendula (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Asparagus Officinalis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Avcennia Officinalis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Avicennia Officinalis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Baccharis Angustifolia (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Backhousia Angustifolia (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Betonica Officinalis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Bistorta Officinalis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Boraga Officinalis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Borago Officinalis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Breynia Officinalis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Buchanania Angustifolia (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Buddleja Officinalis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Bunias Orientalis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Bupleurum Rockii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Calendula Arvensis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Calendula Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Canna Orientalis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Cassia Angustifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Celtis Orientalis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Cinchona Officinalis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Clematis Angustifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Clematis Orientalis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Cochlearia Officinalis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Consolida Orientalis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Cornus Officinalis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cubela Officinalis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Cucurma Angustifolia (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Cyanostegia Angustifolia (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Davallia Orientalis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Digitalis Orientalis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Dodonaea Angustifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Dracaena Angustifolia (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Dracena Angustifolia (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Echinacea Angustifolia (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Elaeagnus Angustifolia (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Elaeagnus Orientalis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Erythrina Orientalis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Euodia Officinalis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Euphrasia Officinalis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Evodia Rutaecarpa (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Fraxinus Angustifolia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Fumaria Officinalis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Galega Officinalis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Galipea Officinalis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
57. Outgoing r'ship FOUND_IN to/from Ginkgo Semen (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Gomphia Angustifolia (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Gratiola Officinalis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Guadua Angustifolia (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Gynochthodes Officinalis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Helicteres Angustifolia (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Hortonia Angustifolia (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Hyacinthus Orientalis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Impatiens Angustifolia (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Ipomoea Biloba (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Isodon Angustifolia (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Kadsura Angustifolia (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Kaempferia Angustifolia (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Kopsia Officinalis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Laricifomes Officinalis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Lavandula Angustifolia (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Lavandula Officinalis (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Lonicera Angustifolia (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Magnolia Biloba (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Magnolia Officinalis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Mandragora Officinalis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Matteuccia Orientalis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Melilotus Officinalis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Morinda Angustifolia (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Myristica Officinalis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Nauclea Officinalis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Nauclea Orientalis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Ophelia Angustifolia (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Paeonia Delavayi (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Paeonia Emodi (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Paeonia Lactiflora (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Paeonia Obovata (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Paeonia Officinalis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
94. Outgoing r'ship FOUND_IN to/from Paeonia Suffruticosa (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Paeonia Veitchii (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Perriera Orientalis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Persicaria Orientalis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Petasites Officinalis (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Pimenta Officinalis (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Platanus Orientalis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Populus Angustifolia (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Pothos Officinalis (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Pterocarpus Officinalis (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Pulicaria Angustifolia (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Rabdosia Angustifolia (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Ruta Angustifolia (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Sanguisorba Officinalis (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Saponaria Officinalis (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Sassafras Officinalis (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Scindapsus Officinalis (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Sida Orientalis (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Sigesbeckia Orientalis (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Sophora Angustifolia (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Stipa Orientalis (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Suregada Angustifolia (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Thuja Orientalis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Tragopogon Orientalis (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Trema Orientalis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Tricholepis Angustifolia (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Turnera Angustifolia (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Typha Angustata (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
130. Outgoing r'ship FOUND_IN to/from Typha Australis (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Typha Domingensis (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Typha Elephantina (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Typha Latifolia (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
135. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Vismia Orientalis (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Woodwardia Orientalis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Wulfenia Orientalis (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Zamia Angustifolia (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all
143. Outgoing r'ship FOUND_IN to/from Zosima Orientalis (Plant) Rel Props:Reference:

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Isorhamnetin-3-O-neohespeidoside

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Phytochemical Properties

Associated Connections 143

Plant Connections 143