[(1R,2S,4aR,6aR,7S,11aS,11bS)-1-acetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate

PubChem CID: 21679153

Connections displayed (default: 10).

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Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	106.0
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CC2CC3CCC4CCCCC4C3CC2C1
Np Classifier Class	Cassane diterpenoids
Deep Smiles	CC=O)O[C@H][C@@H]OC=O)C)))CC[C@][C@@]6C)[C@H]Ccoccc5[C@@][C@@H]9CC%13)))C)O))))))))))O))C)C
Heavy Atom Count	31.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2C(C1)CCC1CC3CCOC3CC12
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	765.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Iupac Name	[(1R,2S,4aR,6aR,7S,11aS,11bS)-1-acetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	2.5
Gsk 4 400 Rule	False
Molecular Formula	C24H34O7
Scaffold Graph Node Bond Level	c1cc2c(o1)CC1C(CCC3CCCCC31)C2
Prediction Swissadme	1.0
Inchi Key	SUJKNDTZWVVCQL-HMZQDCCASA-N
Silicos It Class	Moderately soluble
Fcsp3	0.75
Logs	-4.295
Rotatable Bond Count	4.0
Logd	2.72
Synonyms	epsilon-caesalpin
Esol Class	Soluble
Functional Groups	CC(=O)OC, CO, coc
Compound Name	[(1R,2S,4aR,6aR,7S,11aS,11bS)-1-acetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate
Prediction Hob Swissadme	1.0
Exact Mass	434.23
Formal Charge	0.0
Monoisotopic Mass	434.23
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	434.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.951834638709678
Inchi	InChI=1S/C24H34O7/c1-13(25)30-19-12-21(3,4)24(28)9-7-15-17(22(24,5)20(19)31-14(2)26)11-18-16(8-10-29-18)23(15,6)27/h8,10,15,17,19-20,27-28H,7,9,11-12H2,1-6H3/t15-,17+,19+,20+,22+,23+,24-/m1/s1
Smiles	CC(=O)O[C@H]1CC([C@@]2(CC[C@@H]3[C@@H]([C@]2([C@H]1OC(=O)C)C)CC4=C([C@@]3(C)O)C=CO4)O)(C)C
Nring	4.0
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 Tomentosa (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyrocline Tomentosa (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agastache Mexicana (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aglaia Tomentosa (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Ampelocissus Tomentosa (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Anemone Tomentosa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Argemone Mexicana (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artemisia Ludoviciana (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Bauhinia Tomentosa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Berlinia Tomentosa (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Bridelia Tomentosa (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Caesalpinia Bonduc (Plant) Rel Props:Reference:ISBN:9788185042053
14. Outgoing r'ship FOUND_IN to/from Callicarpa Tomentosa (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Casearia Tomentosa (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Catunaregam Tomentosa (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Citrus Grandis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cyathula Tomentosa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Dicoma Tomentosa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Dioscorea Tomentosa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Edgeworthia Tomentosa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Eria Alba (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Eria Anomala (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Eria Bractescens (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Eria Floribunda (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Eria Foetida (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Eria Linearifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Eria Mollis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Eria Rigida (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Eria Robusta (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Eria Siamensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Eria Subsessilis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Eria Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
35. Outgoing r'ship FOUND_IN to/from Eucalyptus Alata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Eucalyptus Alba (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Eucalyptus Albens (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Eucalyptus Amplifolia (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Eucalyptus Apodophylla (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Eucalyptus Astringens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Eucalyptus Australiana (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Eucalyptus Baueriana (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Eucalyptus Berghei (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Eucalyptus Camaldulensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Eucalyptus Campanulata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Eucalyptus Cinerea (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Eucalyptus Citriodora (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Eucalyptus Cladocalyx (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Eucalyptus Coccifera (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Eucalyptus Cordata (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Eucalyptus Crebra (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Eucalyptus Dealbata (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Eucalyptus Decorticans (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Eucalyptus Deglupta (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Eucalyptus Delegatensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Eucalyptus Dives (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Eucalyptus Dundasii (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Eucalyptus Exserta (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Eucalyptus Flocktoniae (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Eucalyptus Foecunda (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Eucalyptus Froggattii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
62. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Eucalyptus Goniocalyx (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Eucalyptus Grandis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Eucalyptus Gunnii (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Eucalyptus Haemastoma (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Eucalyptus Hybrid (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Eucalyptus Hybrida (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Eucalyptus Jensenii (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Eucalyptus Kirtoniana (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Eucalyptus Kitsoni (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Eucalyptus Kitsoniana (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Eucalyptus Lanceolatus (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Eucalyptus Leucoxylon (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Eucalyptus Luehmanniana (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Eucalyptus Macarthurii (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Eucalyptus Macrocarpa (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Eucalyptus Macrorhyncha (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Eucalyptus Maideni (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Eucalyptus Melanophloia (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Eucalyptus Melliodora (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Eucalyptus Michaeliana (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Eucalyptus Microcorys (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Eucalyptus Microtheca (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Eucalyptus Moluccana (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Eucalyptus Obliqua (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Eucalyptus Ovata (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Eucalyptus Perriniana (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Eucalyptus Phellandra (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Eucalyptus Platypus (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Eucalyptus Polyanthemos (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Eucalyptus Populnea (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Eucalyptus Pulverulenta (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Eucalyptus Radiata (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Eucalyptus Regnans (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Eucalyptus Resinifera (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Eucalyptus Risdonii (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Eucalyptus Robusta (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Eucalyptus Rubida (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Eucalyptus Rudis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Eucalyptus Saligna (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Eucalyptus Sieberi (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Eucalyptus Sieberiana (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Eucalyptus Smithii (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Eucalyptus Staigeriana (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Eucalyptus Tereticornis (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Eucalyptus Urnigera (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Eucalyptus Urophylla (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Eucalyptus Viminalis (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Eucalyptus Viridis (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Eucalyptus Wandoo (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Eucalyptus Youmanii (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Ficus Tomentosa (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Goupia Tomentosa (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Hubertia Tomentosa (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Lespedeza Tomentosa (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Lippia Mexicana (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Melochia Tomentosa (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Morinda Tomentosa (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Myrtus Tomentosa (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Orthosphenia Mexicana (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Paulownia Tomentosa (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Persea Mexicana (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Pistacia Atlantica (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Pistacia Chinensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Pistacia Integerrima (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Pistacia Khinjuk (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Pistacia Lentiscus (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Pistacia Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
132. Outgoing r'ship FOUND_IN to/from Pistacia Terebinthus (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Pistacia Vera (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Pluchea Tomentosa (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Populus Tomentosa (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Premna Tomentosa (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Prunus Tomentosa (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Ratibida Mexicana (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Rhodomyrtus Tomentosa (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Rotala Mexicana (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Salvia Tomentosa (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Sorbaria Tomentosa (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Tinospora Tomentosa (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Trema Tomentosa (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Wrightia Tomentosa (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Xantolis Tomentosa (Plant) Rel Props:Reference:

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[(1R,2S,4aR,6aR,7S,11aS,11bS)-1-acetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate

Graph

Phytochemical Properties

Associated Connections 151

Plant Connections 151