CID 11616742

PubChem CID: 11616742

Connections displayed (default: 10).

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Compound Synonyms	Calliterpenone, 38602-53-8, (1S,4R,9R,10S,13R,14R)-14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one, DTXSID701317302, AKOS040734972
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2C(CCC34CCC(CCC23)C4)C1
Np Classifier Class	Kaurane and Phyllocladane diterpenoids
Deep Smiles	OC[C@@]O)C[C@]C[C@H]5CC[C@@H]6[C@@][C@@H]CC%10))CC)C)C=O)CC6)))))C
Heavy Atom Count	23.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCC2C(CCC34CCC(CCC23)C4)C1
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	541.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	(1S,4R,9R,10S,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.0
Gsk 4 400 Rule	True
Molecular Formula	C20H32O3
Scaffold Graph Node Bond Level	O=C1CCC2C(CCC34CCC(CCC23)C4)C1
Prediction Swissadme	1.0
Inchi Key	MPDUJZZNNBJFAB-NBUFYSGYSA-N
Silicos It Class	Soluble
Fcsp3	0.95
Logs	-5.096
Rotatable Bond Count	1.0
Logd	3.797
Synonyms	calliterpenone, calliterpenone (3-oxo-13β-kaurane-16α,17-diol)
Esol Class	Soluble
Functional Groups	CC(C)=O, CO
Compound Name	CID 11616742
Prediction Hob Swissadme	1.0
Exact Mass	320.235
Formal Charge	0.0
Monoisotopic Mass	320.235
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	320.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.6761326000000007
Inchi	InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14+,15-,18+,19+,20+/m1/s1
Smiles	C[C@]12CCC(=O)C([C@@H]1CC[C@]34[C@@H]2CC[C@H](C3)[C@](C4)(CO)O)(C)C
Nring	8.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Diterpenoids

1. Outgoing r'ship FOUND_IN to/from Acacia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
2. Outgoing r'ship FOUND_IN to/from Acacia Adunca (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Acacia Arabica (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Acacia Armata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Acacia Aroma (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Acacia Aulacocarpa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Acacia Auriculaeformis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Acacia Auriculiformis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Acacia Caesia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Acacia Cambagei (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Acacia Catechu (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Acacia Caven (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Acacia Chundra (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Acacia Concinna (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Acacia Confusa (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Acacia Dealbata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Acacia Decurrens (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Acacia Farnesiana (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Acacia Ferruginea (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Acacia Glaucescens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Acacia Indica (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Acacia Jacquemontii (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Acacia Kempeana (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Acacia Lasiopetala (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Acacia Lemmoni (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Acacia Lenticularis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Acacia Leucophloea (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Acacia Linarioides (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Acacia Mearnsii (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Acacia Melanoxylon (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Acacia Melonoxylon (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Acacia Modesta (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Acacia Mollissima (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Acacia Nilotica (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Acacia Pachyphloia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Acacia Pennata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Acacia Planifrons (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Acacia Polyacantha (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Acacia Pruinosa (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Acacia Pulchella (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Acacia Pycnantha (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Acacia Salicina (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Acacia Saligna (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Acacia Schweinfurthii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Acacia Senegal (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Acacia Seyal (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Acacia Simplicifolia (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Acacia Sinuata (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Acacia Sparsiflora (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Acacia Spirorbis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Acacia Tomentosa (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Acacia Torta (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Acacia Tortilis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Acacia Victoria (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Aeollanthus Pubescens (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Anogeissus Acuminata (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Anogeisus Acuminata (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Atropa Acuminata (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Barleria Acuminata (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Bauhinia Acuminata (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Betula Pubescens (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Callicarpa Acuminata (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Callicarpa Longifolia (Plant) Rel Props:Reference:ISBN:9770972795006
66. Outgoing r'ship FOUND_IN to/from Callicarpa Macrophylla (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/23271460
67. Outgoing r'ship FOUND_IN to/from Callicarpa Nudiflora (Plant) Rel Props:Reference:ISBN:9788172361150
68. Outgoing r'ship FOUND_IN to/from Calystegia Pubescens (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Camptotheca Acuminata (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Centrosema Pubescens (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Cinchona Pubescens (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Cola Acuminata (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Consolida Pubescens (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Curcuma Domestica (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Ehretia Acuminata (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Ehretia Pubescens (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Epimedium Acuminatum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Epimedium Brevicornu (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Epimedium Brevicornum (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Epimedium Davidii (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Epimedium Grandiflorum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Epimedium Koreanum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Epimedium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Epimedium Sagittatum (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Epimedium Sempervirens (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Epimedium Wanshanense (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Epimedium Wushanense (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Eurya Acuminata (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Frasera Caroliniensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
91. Outgoing r'ship FOUND_IN to/from Gymnosporia Acuminata (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Holarrhena Pubescens (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Ilex Pubescens (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Iris Domestica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Ixora Acuminata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Kallstroemia Pubescens (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Magnolia Acuminata (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Malus Domestica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Mangifera Domestica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Metzgeria Pubescens (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Micromelum Pubescens (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Morinda Pubescens (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Musa Acuminata (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Mussaenda Pubescens (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Nandina Domestica (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Nicotiana Acuminata (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Nymphaea Pubescens (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Peltogyne Pubescens (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Physalis Pubescens (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Pimpinella Acuminata (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Pogostemon Pubescens (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Prunus Domestica (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Pseudoscleropodium Purum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
115. Outgoing r'ship FOUND_IN to/from Pycnandra Acuminata (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Rheedia Acuminata (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Sigesbeckia Pubescens (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Sorbus Aucuparia (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Sorbus Coronata (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Sorbus Cuspidata (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Sorbus Domestica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
124. Outgoing r'ship FOUND_IN to/from Sorbus Tianschanica (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Sorbus Torminalis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Syringa Pubescens (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Teucrium Alyssifolium (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Teucrium Asiaticum (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Teucrium Betonicum (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Teucrium Bidentatum (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Teucrium Chamaedrys (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Teucrium Cossonii (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Teucrium Depressum (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Teucrium Fragile (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Teucrium Fruticans (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Teucrium Heterophyllum (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Teucrium Lanigerum (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Teucrium Leucocladum (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Teucrium Marum (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Teucrium Montanum (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Teucrium Nuchense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
143. Outgoing r'ship FOUND_IN to/from Teucrium Orientale (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Teucrium Oxylepis (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Teucrium Pernyi (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Teucrium Pestalozzae (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Teucrium Pilosum (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Teucrium Quadrifarium (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Teucrium Scordium (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Teucrium Scorodonia (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Teucrium Viscidum (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Teucrium Yemense (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Tiliacora Acuminata (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Trichoscypha Acuminata (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Uvaria Acuminata (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Vasconcellea Pubescens (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Waitzia Acuminata (Plant) Rel Props:Reference:

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CID 11616742

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Phytochemical Properties

Associated Connections 158

Plant Connections 158