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(1S,4aR,5S)-5-(2-Furan-3-yl-ethyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid methyl ester

PubChem CID: 10664197

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Compound Synonyms CHEMBL90212, BDBM50065340, (1S,4aR,5S)-5-(2-Furan-3-yl-ethyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid methyl ester
Topological Polar Surface Area 39.4
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 499.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Uniprot Id P21556
Iupac Name methyl (1S,4aR,5S)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
Prediction Hob 1.0
Xlogp 5.2
Molecular Formula C21H30O3
Prediction Swissadme 0.0
Inchi Key DCZZBGIVZGGJDO-BZLGROGESA-N
Fcsp3 0.6666666666666666
Logs -4.408
Rotatable Bond Count 5.0
Logd 4.341
Compound Name (1S,4aR,5S)-5-(2-Furan-3-yl-ethyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid methyl ester
Prediction Hob Swissadme 0.0
Exact Mass 330.219
Formal Charge 0.0
Monoisotopic Mass 330.219
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 330.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -5.007968266666667
Inchi InChI=1S/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18?,20+,21-/m0/s1
Smiles C[C@]12CCC[C@](C1CCC(=C)[C@@H]2CCC3=COC=C3)(C)C(=O)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Indica (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Acalypha Indica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Acypha Indica (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aeginetia Indica (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aeschynomene Indica (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Aesculus Indica (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Agrostistachys Indica (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Alocasia Indica (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Aloe Indica (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Ampelocissus Indica (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Anisomeles Indica (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Aristolochia Indica (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Artemisia Indica (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Asculus Indica (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Aster Koraiensis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Atista Indica (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Azadirachta Indica (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Baccharis Indica (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Balanophora Indica (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Bassia Indica (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Bignonia Indica (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Cadaba Indica (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Calosanthes Indica (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Canna Indica (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Cannabis Sativa (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Caralluma Indica (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Castanopsis Indica (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Centranthera Indica (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Cephalandra Indica (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Citrus Indica (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Clausena Indica (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Coccinia Indica (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Cryptolepis Indica (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Dalechampia Indica (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Derris Indica (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Dillenia Indica (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Dorstenia Indica (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Drimia Indica (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Drosera Indica (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Duchesnea Indica (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Elaeagnus Indica (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Eleusine Indica (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Erythirna Indica (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Euphorbia Indica (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Fagonia Indica (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Ficus Indica (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Flacourtia Indica (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Flagellaria Indica (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Fragaria Indica (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Fumaria Indica (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Garcinia Indica (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Hippocratea Indica (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Iphigenia Indica (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Ipomoea Indica (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Kochia Indica (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Lactuca Indica (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Lagerstroemia Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 59. Outgoing r'ship FOUND_IN to/from Lagerstroemia Lanceolata (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Lagerstroemia Microcarpa (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Lagerstroemia Parviflora (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Lagerstroemia Speciosa (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Lagerstroemia Thorelii (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Lantana Indica (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Leea Indica (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Leucas Indica (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Limnophila Indica (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Lindenbergia Indica (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Macaranga Indica (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Madhuca Indica (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Madhuka Indica (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Maesa Indica (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Melia Indica (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Melilotus Indica (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Melothria Indica (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Mimusops Indica (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Nymphoides Indica (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Pavetta Indica (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Periploca Indica (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Perotis Indica (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Persea Indica (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Physalis Indica (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Pinus Aristata (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Pinus Armandii (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Pinus Banksiana (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Pinus Brutia (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Pinus Bungeana (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Pinus Canariensis (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Pinus Cembra (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Pinus Densiflora (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Pinus Edulis (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Pinus Elliottii (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Pinus Excelsa (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Pinus Flexilis (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Pinus Gerardiana (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Pinus Glauca (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Pinus Griffithi (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Pinus Halepensis (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Pinus Heldreichii (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Pinus Kesiya (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Pinus Koraiensis (Plant) Rel Props:Source_db:npass_chem_all
  • 104. Outgoing r'ship FOUND_IN to/from Pinus Krempfii (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Pinus Longifolia (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Pinus Massoniana (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Pinus Merkusii (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Pinus Monophylla (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Pinus Monticola (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Pinus Mugo (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Pinus Palustris (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Pinus Picea (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Pinus Pinaster (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Pinus Pumila (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Pinus Radiata (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Pinus Resinosa (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Pinus Rigida (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Pinus Roxburghii (Plant) Rel Props:Reference:
  • 119. Outgoing r'ship FOUND_IN to/from Pinus Sibirica (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Pinus Sitchensis (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Pinus Strobus (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Pinus Sylvestris (Plant) Rel Props:Reference:
  • 123. Outgoing r'ship FOUND_IN to/from Pinus Taeda (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Pinus Thunbergii (Plant) Rel Props:Reference:
  • 125. Outgoing r'ship FOUND_IN to/from Pinus Wallichiana (Plant) Rel Props:Reference:
  • 126. Outgoing r'ship FOUND_IN to/from Pinus Yunnanensis (Plant) Rel Props:Reference:
  • 127. Outgoing r'ship FOUND_IN to/from Plantago Indica (Plant) Rel Props:Reference:
  • 128. Outgoing r'ship FOUND_IN to/from Pluchea Indica (Plant) Rel Props:Reference:
  • 129. Outgoing r'ship FOUND_IN to/from Plumbago Indica (Plant) Rel Props:Reference:
  • 130. Outgoing r'ship FOUND_IN to/from Pouzolzia Indica (Plant) Rel Props:Reference:
  • 131. Outgoing r'ship FOUND_IN to/from Pristimera Indica (Plant) Rel Props:Reference:
  • 132. Outgoing r'ship FOUND_IN to/from Quassia Indica (Plant) Rel Props:Reference:
  • 133. Outgoing r'ship FOUND_IN to/from Quisqualis Indica (Plant) Rel Props:Reference:
  • 134. Outgoing r'ship FOUND_IN to/from Reinwardtia Indica (Plant) Rel Props:Reference:
  • 135. Outgoing r'ship FOUND_IN to/from Reissantia Indica (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Rorippa Indica (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Rosa Indica (Plant) Rel Props:Reference:
  • 138. Outgoing r'ship FOUND_IN to/from Rotala Indica (Plant) Rel Props:Reference:
  • 139. Outgoing r'ship FOUND_IN to/from Rothia Indica (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Sacciolepis Indica (Plant) Rel Props:Reference:
  • 141. Outgoing r'ship FOUND_IN to/from Samadera Indica (Plant) Rel Props:Reference:
  • 142. Outgoing r'ship FOUND_IN to/from Saraca Indica (Plant) Rel Props:Reference:
  • 143. Outgoing r'ship FOUND_IN to/from Scilla Indica (Plant) Rel Props:Reference:
  • 144. Outgoing r'ship FOUND_IN to/from Scutellaria Indica (Plant) Rel Props:Reference:
  • 145. Outgoing r'ship FOUND_IN to/from Scutia Indica (Plant) Rel Props:Reference:
  • 146. Outgoing r'ship FOUND_IN to/from Shirakiopsis Indica (Plant) Rel Props:Reference:
  • 147. Outgoing r'ship FOUND_IN to/from Silene Indica (Plant) Rel Props:Reference:
  • 148. Outgoing r'ship FOUND_IN to/from Sinocrassula Indica (Plant) Rel Props:Reference:
  • 149. Outgoing r'ship FOUND_IN to/from Stachytarpheta Indica (Plant) Rel Props:Reference:
  • 150. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Reference:
  • 151. Outgoing r'ship FOUND_IN to/from Tamarix Indica (Plant) Rel Props:Reference:
  • 152. Outgoing r'ship FOUND_IN to/from Tetracera Indica (Plant) Rel Props:Reference:
  • 153. Outgoing r'ship FOUND_IN to/from Thuja Koraiensis (Plant) Rel Props:Reference:
  • 154. Outgoing r'ship FOUND_IN to/from Tylophora Indica (Plant) Rel Props:Reference:
  • 155. Outgoing r'ship FOUND_IN to/from Vateria Indica (Plant) Rel Props:Reference:
  • 156. Outgoing r'ship FOUND_IN to/from Vicoa Indica (Plant) Rel Props:Reference:
  • 157. Outgoing r'ship FOUND_IN to/from Vitis Indica (Plant) Rel Props:Reference:
  • 158. Outgoing r'ship FOUND_IN to/from Waltheria Indica (Plant) Rel Props:Reference:
  • 159. Outgoing r'ship FOUND_IN to/from Wikstroemia Indica (Plant) Rel Props:Reference:
  • 160. Outgoing r'ship FOUND_IN to/from Xyris Indica (Plant) Rel Props:Reference:
  • 161. Outgoing r'ship FOUND_IN to/from Zanonia Indica (Plant) Rel Props:Reference:
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