(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

PubChem CID: 11373355

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL485461
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	30.0
Isotope Atom Count	0.0
Molecular Complexity	693.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	9.0
Iupac Name	(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Prediction Hob	0.0
Xlogp	7.5
Molecular Formula	C28H46O2
Prediction Swissadme	0.0
Inchi Key	OIBDKISTMGYAJC-MBOCNQOASA-N
Fcsp3	0.8571428571428571
Logs	-5.535
Rotatable Bond Count	5.0
Logd	5.473
Compound Name	(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Prediction Hob Swissadme	0.0
Exact Mass	414.35
Formal Charge	0.0
Monoisotopic Mass	414.35
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	414.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Esol	-6.812278800000001
Inchi	InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28-/m1/s1
Smiles	C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acalypha Paniculata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acmella Paniculata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Acypha Paniculata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Afraegle Paniculata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aglaia Gigantea (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Amaranthus Tricolor (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Andrographis Paniculata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Anodendron Paniculatum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Ardisia Paniculata (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Asclepias Gigantea (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Baccharis Truncata (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Calotropis Gigantea (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Cassine Paniculata (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cedrela Fissilis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Cedrela Odorata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
18. Outgoing r'ship FOUND_IN to/from Cedrela Toona (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Coix Gigantea (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Corydalis Gigantea (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Coussarea Paniculata (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Crotalaria Paniculata (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Crotalaria Tetragona (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Croton Laevigatus (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Cuscuta Gigantea (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Cyathea Gigantea (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Cyperus Laevigatus (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Dalbergia Lanceolaria (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Dbergia Paniculata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Diospyros Paniculata (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Ecbolium Viride (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Erycibe Paniculata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Flemingia Paniculata (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Garcinia Atroviridis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
36. Outgoing r'ship FOUND_IN to/from Garcinia Cantleyana (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Garcinia Celebica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Garcinia Conrauana (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Garcinia Cowa (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Garcinia Echinocarpa (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Garcinia Esculenta (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Garcinia Gaudichaudii (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Garcinia Griffithii (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Garcinia Hanburyi (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Garcinia Hombroniana (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Garcinia Huillensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Garcinia Indica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Garcinia Intermedia (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Garcinia Kola (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Garcinia Kydia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Garcinia Lancaeafolia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Garcinia Lancilimba (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Garcinia Lateriflora (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Garcinia Latissima (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Garcinia Linii (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Garcinia Livingstonei (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Garcinia Lucida (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Garcinia Mangostana (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Garcinia Morella (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Garcinia Multiflora (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Garcinia Nervosa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Garcinia Nigrolineata (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Garcinia Oblongifolia (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Garcinia Oligantha (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Garcinia Ovalifolia (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Garcinia Parvifolia (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Garcinia Paucinervis (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Garcinia Pedunculata (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Garcinia Polyantha (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Garcinia Pseudoguttifera (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Garcinia Pyrifera (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Garcinia Quaesita (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Garcinia Scortechinii (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Garcinia Speciosa (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Garcinia Spicata (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Garcinia Subelliptica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Garcinia Talbotii (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Garcinia Tinctoria (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Garcinia Travancorica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Garcinia Virgata (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Garcinia Wightii (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Garcinia Xanthochymus (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Gnaphalium Affine (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Gymnacranthera Paniculata (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
90. Outgoing r'ship FOUND_IN to/from Hertia Intermedia (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Hydrangea Paniculata (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Impatiens Gigantea (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Ipomoea Tricolor (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Jacquemontia Paniculata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Koelreuteria Paniculata (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Laphangium Affine (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Licaria Armeniaca (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Licaria Brasiliensis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
102. Outgoing r'ship FOUND_IN to/from Licaria Mahuba (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Lonchocarpus Salvadorensis (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Meconopsis Paniculata (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Microcos Paniculata (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Mucuna Gigantea (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Myristica Gigantea (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Nymphaea Tetragona (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Onosma Paniculata (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Ormosia Flava (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Ormosia Fordiana (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
114. Outgoing r'ship FOUND_IN to/from Ormosia Travancoria (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
116. Outgoing r'ship FOUND_IN to/from Ostodes Paniculata (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Oxyspora Paniculata (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Petasites Albus (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Petasites Formosanus (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Petasites Georgicus (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Petasites Japonicus (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Petasites Kablikianus (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
124. Outgoing r'ship FOUND_IN to/from Petasites Niveus (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Petasites Officinalis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Polygonum Affine (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Polypodium Aureum (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Polypodium Glycyrrhiza (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Polypodium Vulgare (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Porana Paniculata (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Protea Mellifera (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Pseudognaphalium Affine (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Rubia Akane (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Rubia Cordifolia (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Rubia Manjith (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Rubia Oncotricha (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Rubia Schumanniana (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Rubia Schumannina (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Rubia Sikkimensis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
141. Outgoing r'ship FOUND_IN to/from Rubia Tinctorum (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Rubia Ustulata (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Rubia Wallichiana (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Salvia Mellifera (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Sasa Paniculata (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
148. Outgoing r'ship FOUND_IN to/from Schlumbergera Truncata (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Senegalia Mellifera (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Sophora Chrysophylla (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Sphaeranthus Africanus (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Sphaeranthus Amaranthoides (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
154. Outgoing r'ship FOUND_IN to/from Sphaeranthus Hirtus (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Sphaeranthus Indicus (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Sphaeranthus Senegalensis (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Spilanthes Paniculata (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Symplocos Paniculata (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
162. Outgoing r'ship FOUND_IN to/from Veratrum Viride (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Viola Tricolor (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Wendlandia Paniculata (Plant) Rel Props:Reference:

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(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

Graph

Phytochemical Properties

Associated Connections 165

Plant Connections 165