CID 21594207

PubChem CID: 21594207

Connections displayed (default: 10).

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Compound Synonyms	(3S,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol, CHEMBL4093010
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Np Classifier Class	Oleanane triterpenoids
Deep Smiles	OC[C@][C@@H]O)CCC[C@H]6C=CC[C@H][C@@][C@@]6C[C@@H]%14O)))C))C)CC[C@@H][C@]6C)CC[C@@H]C6C)C))O)))))))))))))))C)C
Heavy Atom Count	34.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Classyfire Subclass	Triterpenoids
Isotope Atom Count	0.0
Molecular Complexity	877.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	10.0
Uniprot Id	P05067
Iupac Name	(3S,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	5.8
Gsk 4 400 Rule	False
Molecular Formula	C30H50O4
Scaffold Graph Node Bond Level	C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1
Prediction Swissadme	0.0
Inchi Key	CTNHZEZBBGIUJB-XRWCDFGBSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.9333333333333332
Logs	-2.998
Rotatable Bond Count	1.0
Logd	1.727
Synonyms	camelliagenin a, chichipegenin
Esol Class	Poorly soluble
Functional Groups	CC=C(C)C, CO
Compound Name	CID 21594207
Prediction Hob Swissadme	0.0
Exact Mass	474.371
Formal Charge	0.0
Monoisotopic Mass	474.371
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	474.7
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-6.371301200000002
Inchi	InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24-,27-,28+,29+,30+/m0/s1
Smiles	C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(C[C@@H]5O)(C)C)CO)O)C)C)(C)C)O
Nring	10.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Triterpenoids

1. Outgoing r'ship FOUND_IN to/from Artemisia Abrotanum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Artemisia Afra (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Anomala (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Artemisia Apiacea (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 Artemisia Arbuscula (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artemisia Argentea (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Assoana (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artemisia Aucheri (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artemisia Austriaca (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artemisia Biennis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artemisia Bigelovii (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Artemisia Brevifolia (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Artemisia Caerulescens (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Artemisia Campestris (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Artemisia Canariensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Artemisia Capillari (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Artemisia Capillaries (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Artemisia Carvifolia (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Artemisia Caucasica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Artemisia Cina (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Artemisia Coerulescens (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Artemisia Dentata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Artemisia Desertorum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Artemisia Dracunculus (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Artemisia Gilvescens (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Artemisia Giraldii (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Artemisia Glabella (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Artemisia Gmelini (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Artemisia Gmelinii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Artemisia Halodendron (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Artemisia Hanseniana (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Artemisia Incanescens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Artemisia Indica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Artemisia Iwayomogi (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Artemisia Jacutica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Artemisia Judaica (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Artemisia Juncea (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Artemisia Klotzchiana (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Artemisia Kurramensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Artemisia Laciniata (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Artemisia Lactiflora (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Artemisia Ludoviciana (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Artemisia Macrocephala (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Artemisia Maderaspatana (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Artemisia Maritima (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Artemisia Mesatlantica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Artemisia Minor (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Artemisia Mongolica (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Artemisia Monogyna (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Artemisia Monosperma (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Artemisia Moorcroftiana (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Artemisia Myriantha (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Artemisia Niirica (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Artemisia Nilagirica (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Artemisia Oranensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Artemisia Pallens (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Artemisia Parviflora (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Artemisia Pectinata (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Artemisia Pedemontana (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Artemisia Porrecta (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Artemisia Rehan (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Artemisia Roxbugiana (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Artemisia Rubripes (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Artemisia Rupestris (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Artemisia Rutifolia (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Artemisia Schrenkiana (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Artemisia Sieversiana (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Artemisia Siversiana (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Artemisia Stracheyi (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Artemisia Sylvatica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Artemisia Taurica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Artemisia Tournefortiana (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Artemisia Tridentata (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Artemisia Urghiana (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Artemisia Vachanica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Artemisia Vestita (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Artemisia Wallichiana (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Artermisia Absinthium (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Camellia Japonica (Plant) Rel Props:Reference:ISBN:9788172360481
98. Outgoing r'ship FOUND_IN to/from Crotalaria Aegyptiaca (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Crotalaria Agatiflora (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Crotalaria Alata (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Crotalaria Albida (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Crotalaria Anagyroides (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Crotalaria Angulata (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Crotalaria Assamica (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Crotalaria Barbata (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Crotalaria Bialata (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Crotalaria Biflora (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Crotalaria Brevidens (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Crotalaria Breviflora (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Crotalaria Burhia (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Crotalaria Calycina (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Crotalaria Candicans (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Crotalaria Crispata (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Crotalaria Ferruginea (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Crotalaria Grahamiana (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Crotalaria Hebecarpa (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Crotalaria Incana (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Crotalaria Juncea (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Crotalaria Laburnifolia (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Crotalaria Lachnophora (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Crotalaria Lechnaultii (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Crotalaria Linifolia (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Crotalaria Madurensis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Crotalaria Medicaginea (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Crotalaria Micans (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Crotalaria Mitchellii (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Crotalaria Mysorensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Crotalaria Nana (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Crotalaria Orixensis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Crotalaria Pallida (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Crotalaria Paniculata (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Crotalaria Pulchra (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Crotalaria Quinquefolia (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Crotalaria Ramosissima (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Crotalaria Retusa (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Crotalaria Rubiginosa (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Crotalaria Scabrella (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Crotalaria Sessiliflora (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Crotalaria Spartioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
140. Outgoing r'ship FOUND_IN to/from Crotalaria Spectabilis (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Crotalaria Stipularia (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Crotalaria Stolzii (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Crotalaria Tetragona (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Crotalaria Trifoliastrum (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Crotalaria Triquetra (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Crotalaria Umbellata (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Crotalaria Verrucosa (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Crotalaria Walkeri (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Crotalaria Wightiana (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Maesa Chisia (Plant) Rel Props:Reference:ISBN:9788172362461
151. Outgoing r'ship FOUND_IN to/from Rumex Acetosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
152. Outgoing r'ship FOUND_IN to/from Rumex Acetosella (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Rumex Chalepensis (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Rumex Conglomeratus (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Rumex Crispus (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Rumex Dentatus (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Rumex Hastatus (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Rumex Japonicus (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Rumex Maritimus (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Rumex Nepalensis (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Rumex Obtusifolius (Plant) Rel Props:Reference:
162. Outgoing r'ship FOUND_IN to/from Rumex Patientia (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Rumex Plants (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Rumex Vesicarius (Plant) Rel Props:Reference:

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CID 21594207

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Phytochemical Properties

Associated Connections 164

Plant Connections 164