Sikokianin A

PubChem CID: 21636083

Connections displayed (default: 10).

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Compound Synonyms	Sikokianin A, 106293-99-6, (2S,3S)-3-[(2S,3S)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, HY-N10095, AKOS040763454, FS-7549, DA-57866, CS-0255554
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	163.0
Hydrogen Bond Donor Count	5.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2CC(C2CCCCC2)C1C1C(C)C2CCCCC2CC1C1CCCCC1
Np Classifier Class	Flavanones
Deep Smiles	COcccccc6))[C@H]OcccO)ccc6C=O)[C@H]%10[C@H][C@H]OccC6=O))cO)ccc6)O)))))))cccccc6))O))))))))))O
Heavy Atom Count	41.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1C2CCCCC2OC(C2CCCCC2)C1C1C(O)C2CCCCC2OC1C1CCCCC1
Classyfire Subclass	Biflavonoids and polyflavonoids
Isotope Atom Count	0.0
Molecular Complexity	943.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(2S,3S)-3-[(2S,3S)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	5.0
Gsk 4 400 Rule	False
Molecular Formula	C31H24O10
Scaffold Graph Node Bond Level	O=C1c2ccccc2OC(c2ccccc2)C1C1C(=O)c2ccccc2OC1c1ccccc1
Prediction Swissadme	0.0
Inchi Key	QOPUSVUZHPIYER-GERHYJQASA-N
Silicos It Class	Poorly soluble
Fcsp3	0.1612903225806451
Logs	-5.806
Rotatable Bond Count	4.0
Logd	3.109
Synonyms	sikokianin a
Esol Class	Poorly soluble
Functional Groups	cC(C)=O, cO, cOC
Compound Name	Sikokianin A
Prediction Hob Swissadme	0.0
Exact Mass	556.137
Formal Charge	0.0
Monoisotopic Mass	556.137
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	556.5
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-6.5781133317073195
Inchi	InChI=1S/C31H24O10/c1-39-19-8-4-15(5-9-19)31-27(29(38)25-21(36)11-18(34)13-23(25)41-31)26-28(37)24-20(35)10-17(33)12-22(24)40-30(26)14-2-6-16(32)7-3-14/h2-13,26-27,30-36H,1H3/t26-,27-,30-,31-/m1/s1
Smiles	COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)[C@H]4[C@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O
Nring	6.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Flavonoids

1. Outgoing r'ship FOUND_IN to/from Amaranthus Gracilis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aristolochia Elegans (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aster Ageratoides (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aster Alpinus (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aster Altaicus (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aster Amellus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aster Bellidiastrum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Aster Diplostephioides (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aster Falconeri (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aster Flaccidus (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aster Indamellus (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Aster Koraiensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Aster Molliusculus (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Aster Oharai (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Aster Peduncularis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Aster Ptarmicoides (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Aster Scaber (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Aster Sedifolius (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Aster Stracheyi (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Aster Tataricus (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Aster Thomsonii (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Aster Tibeticus (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Chiloscyphus Rivularis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Dalea Elegans (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Desmodium Elegans (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Dipterocarpus Gracilis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Galium Elegans (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Gelsemium Elegans (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Helenium Elegans (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Ilex Affinis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Ilex Amara (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Ilex Aquifolium (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Ilex Brevicuspis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Ilex Cornuta (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Ilex Denticulata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Ilex Dumosa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Ilex Excelsa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Ilex Hainanensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Ilex Kaushue (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Ilex Latifolia (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Ilex Lepta (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Ilex Macropoda (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Ilex Paraguariensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Ilex Pedunculosa (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Ilex Pubescens (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Ilex Purpurea (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Ilex Rotunda (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Ilex Taubertiana (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Ilex Wightiana (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Ipomea Gracilis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Liatris Elegans (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Ligularia Altaica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Ligularia Amplexicaule (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Ligularia Atroviolacea (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Ligularia Clivorum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Ligularia Cymbulifera (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Ligularia Dentata (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Ligularia Dictyoneura (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Ligularia Fischeri (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Ligularia Hodgsonii (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Ligularia Hookeri (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Ligularia Intermedia (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Ligularia Jacquemontiana (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Ligularia Lamarum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Ligularia Lapathifolia (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Ligularia Macrophylla (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Ligularia Muliensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Ligularia Nelumbifolia (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Ligularia Platyglossa (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Ligularia Pleurocaulis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Ligularia Przewalskii (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Ligularia Sagitta (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Ligularia Songarica (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Ligularia Stenocephala (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Lithocarpus Elegans (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Mesua Elegans (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Myricaria Elegans (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Quercus Ilex (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Robinsonia Gracilis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Salix Acomphylla (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Salix Alba (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Salix Babylonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Salix Caprea (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Salix Daphnoides (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Salix Fragilis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Salix Lindleyana (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Salix Matsudana (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Salix Nigra (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Salix Petiolaris (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Salix Pycnostachya (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Salix Rosmarinifolia (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Salix Sieboldiana (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Salix Tetrasperma (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Salix Viminalis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Smilax Elegans (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Sphallerocarpus Gracilis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Stellera Chamaejasme (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
99. Outgoing r'ship FOUND_IN to/from Stephania Elegans (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Thalictrum Elegans (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Tragopogon Gracilis (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Wikstroemia Canescens (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Wikstroemia Chamaedaphne (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Wikstroemia Indica (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Wikstroemia Lanceolata (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Wikstroemia Monticola (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Wikstroemia Retusa (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Wikstroemia Sikokiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
109. Outgoing r'ship FOUND_IN to/from Wikstroemia Viridiflora (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Zanthoxylum Americanum (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Zanthoxylum Avicennae (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Zanthoxylum Belizense (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Zanthoxylum Brachyacanthum (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Zanthoxylum Budrunga (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Zanthoxylum Decaryi (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dissitum (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fagara (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Zanthoxylum Flavum (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hostile (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Zanthoxylum Limonella (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxphyllum (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Zanthoxylum Planispinum (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rubescens (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Zanthoxylum Simulans (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Zanthoxylum Spinosum (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Zanthoxylum Veneficium (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Zinnia Elegans (Plant) Rel Props:Reference:

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Sikokianin A

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Phytochemical Properties

Associated Connections 156

Plant Connections 156