(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

PubChem CID: 3032482

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL490151, AKOS037643611, CCG-208572, AS-17552
Topological Polar Surface Area	138.0
Hydrogen Bond Donor Count	6.0
Heavy Atom Count	34.0
Isotope Atom Count	0.0
Molecular Complexity	869.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	10.0
Iupac Name	(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Prediction Hob	0.0
Xlogp	0.5
Molecular Formula	C27H44O7
Prediction Swissadme	0.0
Inchi Key	NKDFYOWSKOHCCO-QUOJMMGDSA-N
Fcsp3	0.8888888888888888
Logs	-2.878
Rotatable Bond Count	5.0
Logd	0.112
Compound Name	(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Prediction Hob Swissadme	0.0
Exact Mass	480.309
Formal Charge	0.0
Monoisotopic Mass	480.309
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	480.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Esol	-2.7797804000000013
Inchi	InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26-,27+/m0/s1
Smiles	C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@@](C)([C@@H](CCC(C)(C)O)O)O)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Achyranthes Aspera (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyranthes Bidentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Achyranthes Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Achyranthes Lanatalus (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Achyranthes Obtusifolia (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aconitum Fauriei (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Acrotrema Uniflorum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Ajuga Australis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Ajuga Bracteosa (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Ajuga Chamaepitys (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Ajuga Ciliata (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Ajuga Decumbens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
16. Outgoing r'ship FOUND_IN to/from Ajuga Forrestii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Ajuga Genevensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Ajuga Integrifolia (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Ajuga Lupulina (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Ajuga Macrocarpa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Ajuga Macrosperma (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Ajuga Nipponensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Ajuga Parviflora (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Ajuga Remota (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Ajuga Reptans (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Ajuga Spectabilis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Ajuga Taiwanensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Ampelopsis Japonica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Arnebia Decumbens (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Atractylodes Japonica (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Aucuba Japonica (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Balanophora Japonica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Bazzania Japonica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Calamus Latifolius (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Callicarpa Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Camellia Japonica (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Caus Latifolius (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Cayratia Japonica (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Chionographis Japonica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Cimicifuga Japonica (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Cleyera Japonica (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Conyza Japonica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Corbichonia Decumbens (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Coriaria Japonica (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Corydalis Decumbens (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Croomia Japonica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Diospyros Japonica (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Echinops Amplexicaulis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Echinops Bannaticus (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Echinops Cornigerus (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Echinops Echinatus (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Echinops Giganteus (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Echinops Grijsii (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Echinops Kebericho (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Echinops Niveus (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Echinops Ritro (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Echinops Setifer (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
72. Outgoing r'ship FOUND_IN to/from Echinops Spinosissimus (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Echinops Transiliensis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Echinopsis Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
75. Outgoing r'ship FOUND_IN to/from Echinopsis Radix (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Echinopsis Spachiana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Euchresta Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Eurya Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Euscaphis Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Forsythia Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Fraxinus Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Gleditsia Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Gynura Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Hemionitis Japonica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Isodon Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Kerria Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Korthalsella Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Lathyrus Latifolius (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Lophocolea Bidentata (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Macrotyloma Uniflorum (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Pteris Fauriei (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Rhaponticum Carthamoides (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Rhaponticum Repens (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Rhaponticum Uniflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
123. Outgoing r'ship FOUND_IN to/from Rheum Rhaponticum (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Rhododendron Fauriei (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Sarcocephalus Latifolius (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Thalictrum Fauriei (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Urochloa Decumbens (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Graph

Phytochemical Properties

Associated Connections 146

Plant Connections 146