CID 13919535

PubChem CID: 13919535

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL2043372, HY-N12469, CS-0908865
Topological Polar Surface Area	171.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	46.0
Isotope Atom Count	0.0
Molecular Complexity	1310.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	14.0
Uniprot Id	n.a.
Iupac Name	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Prediction Hob	0.0
Xlogp	4.8
Molecular Formula	C36H54O10
Prediction Swissadme	0.0
Inchi Key	NUSHOJSYOLRGAX-ALBXZGMBSA-N
Fcsp3	0.8611111111111112
Logs	-3.422
Rotatable Bond Count	5.0
Logd	2.63
Compound Name	CID 13919535
Prediction Hob Swissadme	0.0
Exact Mass	646.372
Formal Charge	0.0
Monoisotopic Mass	646.372
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	646.8
Covalent Unit Count	1.0
Total Atom Stereocenter Count	14.0
Total Bond Stereocenter Count	0.0
Esol	-6.531671600000004
Inchi	InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1
Smiles	C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
Nring	6.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Abies Nigra (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acnistus Arborescens (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alpinia Nigra (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Ambrosia Arborescens (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ardisia Arborescens (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artemisia Arborescens (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Brassica Nigra (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Buettneria Herbacea (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Byttneria Herbacea (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Cratoxylum Arborescens (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Dalbergia Nigra (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Dianella Nigra (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Erythrina Arborescens (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Eulophia Herbacea (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Hedyosmum Arborescens (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Hedyotis Herbacea (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Heliotropium Arborescens (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Holigarna Nigra (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Hydrangea Arborescens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Jasminum Arborescens (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Juglans Nigra (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Launaea Arborescens (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Mascarenhasia Arborescens (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Metrodorea Nigra (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Momordica Balsamina (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Momordica Charantia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Momordica Cochinchinensis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Momordica Cymbalaria (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Momordica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
31. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Oldenlandia Herbacea (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Olea Dioica (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Phonus Arborescens (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Physalis Alkekengi (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Phytolacca Dioica (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Pimenta Dioica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Podocarpus Amarus (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Podocarpus Blumei (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Podocarpus Dacrydioides (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Podocarpus Elatus (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Podocarpus Elongata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Podocarpus Elongatu (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Podocarpus Elongatus (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Podocarpus Hallii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Podocarpus Henckelii (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Podocarpus Macrophyllus (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Podocarpus Minor (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Podocarpus Montanus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Podocarpus Nagi (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Podocarpus Nakaii (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Podocarpus Neriifolius (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Podocarpus Nivalis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Podocarpus Nubigenus (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Podocarpus Philippinensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Podocarpus Polystachyus (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Podocarpus Salignus (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Podocarpus Sellowii (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Podocarpus Spicatus (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Populus Nigra (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Premna Herbacea (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Psorothamnus Arborescens (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Rauvolfia Sumatrana (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Salicornia Brachiata (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Salicornia Herbacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
66. Outgoing r'ship FOUND_IN to/from Salix Nigra (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Sambucus Nigra (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Schisandra Nigra (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Senecio Abrotanifolius (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Senecio Adenophyllus (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Senecio Alpinus (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Senecio Ambraceus (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Senecio Asper (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Senecio Aureus (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Senecio Behnii (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Senecio Brasiliensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Senecio Candollei (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Senecio Cappa (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Senecio Cathcartensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Senecio Chionophilus (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Senecio Chrysanthemoides (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Senecio Coahuilensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Senecio Congestus (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Senecio Densiflorus (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Senecio Desfontainei (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Senecio Dolichodoryius (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Senecio Eremophilus (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Senecio Erraticus (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Senecio Flammeus (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Senecio Flavus (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Senecio Fuertesii (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Senecio Gilliesi (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Senecio Graciliflorus (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Senecio Grandiflorus (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Senecio Heliopsis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Senecio Hohenackeri (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Senecio Integerrimus (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Senecio Isatideus (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Senecio Jacquemontianus (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Senecio Kaempferi (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Senecio Laetus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Senecio Longifolius (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Senecio Macrocephalus (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Senecio Macrophyllus (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Senecio Mexicanus (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Senecio Microglossus (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Senecio Miser (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Senecio Nemorensis (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Senecio Othonniformis (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Senecio Paucicazyculatus (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Senecio Platyphylloides (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Senecio Platyphyllus (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Sideritis Arborescens (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Sinapis Nigra (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Skimmia Arborescens (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Tamarix Dioica (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Taxus Baccata (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Taxus Brevifolia (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Taxus Canadensis (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Taxus Cuspidata (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Taxus Drupacea (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Taxus Ichiana (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Taxus Mairei (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Taxus Sumatrana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
162. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Taxus X (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Trichosanthes Dioica (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Urtica Dioica (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Vinca Herbacea (Plant) Rel Props:Reference:

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CID 13919535

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Phytochemical Properties

Associated Connections 166

Plant Connections 166