beta-Cyclocostunolide

PubChem CID: 442192

Connections displayed (default: 10).

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Compound Synonyms	beta-Cyclocostunolide, 2221-82-1, CID 442192, (3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one, C09384, CHEMBL4759939, SCHEMBL15941718, CHEBI:10364, DTXSID60331766, Naphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-dimethylene-, (3aS,5aR,9aS,9bS)-, Q27108625
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2C(CCC3CCCC(C)C32)C1C
Np Classifier Class	Eudesmane sesquiterpenoids
Deep Smiles	C=CCCC[C@][C@H]6[C@H]OC=O)C=C)[C@@H]5CC9))))))))C
Heavy Atom Count	17.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	CC1CCCC2CCC3C(C)C(O)OC3C12
Classyfire Subclass	Terpene lactones
Isotope Atom Count	0.0
Molecular Complexity	409.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.6
Gsk 4 400 Rule	True
Molecular Formula	C15H20O2
Scaffold Graph Node Bond Level	C=C1C(=O)OC2C1CCC1CCCC(=C)C12
Prediction Swissadme	0.0
Inchi Key	XUYAKPXYKQEFPD-SFDCQRBFSA-N
Silicos It Class	Soluble
Fcsp3	0.6666666666666666
Logs	-3.848
Rotatable Bond Count	0.0
Logd	3.647
Synonyms	beta cyclocostunolide, beta-cyclocostunolide, cyclocostunolide, beta-, β-cyclocostunolides
Esol Class	Soluble
Functional Groups	C=C(C)C, C=C1CCOC1=O
Compound Name	beta-Cyclocostunolide
Prediction Hob Swissadme	0.0
Exact Mass	232.146
Formal Charge	0.0
Monoisotopic Mass	232.146
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	232.32
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.5295026
Inchi	InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1
Smiles	C[C@]12CCCC(=C)[C@@H]1[C@@H]3[C@@H](CC2)C(=C)C(=O)O3
Nring	3.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Actaea Racemosa (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Adina Racemosa (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ailanthus Altissima (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Anamirta Cocculus (Plant) Rel Props:Source_db:npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Aralia Racemosa (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Atalantia Racemosa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Atuna Racemosa (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Barringtonia Racemosa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Bauhima Racemosa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Bauhinia Racemosa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Caulerpa Racemosa (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Cimicifuga Racemosa (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Cocculus Diversifolius (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Cocculus Hirsutus (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cocculus Indicus (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Cocculus Laurifolius (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Cocculus Orbiculatus (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cocculus Pendulus (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Cocculus Sarmentosus (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Cocculus Trilobus (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Commiphora Abyssinica (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Commiphora Agallocha (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Commiphora Berryi (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Commiphora Caudata (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Commiphora Confusa (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Commiphora Kua (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Commiphora Mukul (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Commiphora Myrrha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
29. Outgoing r'ship FOUND_IN to/from Commiphora Ornifolia (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Commiphora Parvifolia (Plant) Rel Props:Reference:
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32. Outgoing r'ship FOUND_IN to/from Commiphora Stocksiana (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Commiphora Urghii (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Commiphora Wightii (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Corydalis Racemosa (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cosmostigma Racemosa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Cussonia Racemosa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Cyclea Racemosa (Plant) Rel Props:Reference:
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40. Outgoing r'ship FOUND_IN to/from Daphnopsis Racemosa (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Drimia Altissima (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Endosamara Racemosa (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Ephedra Altissima (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Euploca Racemosa (Plant) Rel Props:Reference:
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46. Outgoing r'ship FOUND_IN to/from Gentiana Triflora (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Inula Racemosa (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Jacaranda Acutifolia (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Jacaranda Caucana (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Jacaranda Chelonia (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Jacaranda Mimosifolia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Laguncularia Racemosa (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Limnophila Racemosa (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Litsea Triflora (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Lumnitzera Racemosa (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Melilotus Alba (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Melilotus Albus (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Melilotus Indica (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Melilotus Indicum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Melilotus Indicus (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Melilotus Messanensis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Melilotus Officinalis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Melilotus Tauricus (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Mesua Racemosa (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Milletia Racemosa (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Millettia Racemosa (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Pimenta Racemosa (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Prunus Avium (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Prunus Cerasoides (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Prunus Cerasus (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Prunus Ceylanica (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Prunus Cornuta (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Prunus Davidiana (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Prunus Domestica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Prunus Dulcis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Prunus Humilis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Prunus Jacquemontii (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Prunus Laurocerasus (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Prunus Lusitanica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Prunus Mandshurica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Prunus Mume (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Prunus Prostrata (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Prunus Pseudocerasus (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Prunus Puddum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Prunus Puddun (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Prunus Salicina (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Prunus Serotina (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Prunus Serrulata (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Prunus Sibirica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Prunus Speciosa (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Prunus Tomentosa (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Prunus Venosa (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Prunus Verecunda (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Prunus Virginiana (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Prunus Yedoensis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Prunus Zippeliana (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Pteris Altissima (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Salta Triflora (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Reference:ISBN:9788172361792; ISBN:9788185042084
105. Outgoing r'ship FOUND_IN to/from Scutellaria Altissima (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Sinoadina Racemosa (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Solidago Altissima (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Swertia Bimaculata (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Swertia Calycina (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Swertia Chirata (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Swertia Chirayita (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Swertia Ciliata (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Swertia Cincta (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Swertia Cordata (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Swertia Corymbosa (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Swertia Decora (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Swertia Decussata (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Swertia Delavayi (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Swertia Densiflora (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Swertia Dilatata (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Swertia Erythrosticta (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Swertia Fasciculata (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Swertia Franchetiana (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Swertia Hickinii (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Swertia Kouitchensis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Swertia Lawii (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Swertia Leduci (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Swertia Leducii (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Swertia Lloydioides (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Swertia Macrosperma (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Swertia Minor (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Swertia Mussotii (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Swertia Nervosa (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Swertia Patens (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Swertia Perennis (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Swertia Petiolata (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Swertia Pseudochinensis (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Swertia Pulchella (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Swertia Punctata (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Swertia Punicea (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Swertia Purpurascens (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Swertia Randainensis (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Swertia Spaciosa (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Swertia Swertiopsis (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Swertia Swertopsis (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Swertia Thomsonii (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Swertia Tosaensis (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Symplocos Racemosa (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Tiliacora Racemosa (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Vitex Altissima (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all

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beta-Cyclocostunolide

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Phytochemical Properties

Associated Connections 157

Plant Connections 157