Catalpalactone
PubChem CID: 3014018
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Catalpalactone, 1585-68-8, 3-(2,2-dimethyl-6-oxo-3H-pyran-5-yl)-3H-2-benzofuran-1-one, UNII-P61GH0V29Z, P61GH0V29Z, CHEBI:80804, CATALPALACTONE, (+/-)-, 1(3H)-Isobenzofuranone, 3-(5,6-dihydro-6,6-dimethyl-2-oxo-2H-pyran-3-yl)-, 3-(5,6-Dihydro-6,6-dimethyl-2-oxo-2H-pyran-3-yl)-1(3H)-isobenzofuranone, 3-(6,6-Dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)isobenzofuran-1(3H)-one, 1-PHTHALANACETIC ACID, .ALPHA.-(3-HYDROXY-3-METHYLBUTYLIDENE)-3-OXO-, .DELTA.-LACTONE, 1-Phthalanacetic acid, alpha-(3-hydroxy-3-methylbutylidene)-3-oxo-, delta-lactone, Phthalide, 3-(5,6-dihydro-6,6-dimethyl-2-oxo-2H-pyran-3-yl)-, starbld0005844, CHEMBL471809, DTXSID10928201, BAA58568, HY-N3548, AKOS032948471, FS-10437, CS-0023815, C16929, Q27149847, 1-PHTHALANACETIC ACID, ALPHA-(3-HYDROXY-3-METHYLBUTYLIDENE)-3-OXO-, DELTA-LACTONE, 3-(6,6-Dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)-2-benzofuran-1(3H)-one, 1-Phthalanacetic acid, -(3-hydroxy-3-methylbutylidene)-3-oxo-, -lactone, Phthalide, 3-(5,6-dihydro-6,6-dimethyl-2-oxo-2H-pyran-3-yl)-, 133591-03-4 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,2-dimethyl-6-oxo-3H-pyran-5-yl)-3H-2-benzofuran-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GFYSRANGENPXDF-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.325 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.186 |
| Compound Name | Catalpalactone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.139876810526316 |
| Inchi | InChI=1S/C15H14O4/c1-15(2)8-7-11(14(17)19-15)12-9-5-3-4-6-10(9)13(16)18-12/h3-7,12H,8H2,1-2H3 |
| Smiles | CC1(CC=C(C(=O)O1)C2C3=CC=CC=C3C(=O)O2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acca Sellowiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aglaia Formosana (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Alpinia Formosana (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Anisomeles Ovata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Briedelia Ovata (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Calamus Viminalis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Callistemon Viminalis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Calocedrus Macrolepis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Carya Ovata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Casearia Ovata (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Cassia Ovata (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Catalpa Bignonioides (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Catalpa Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Caus Viminalis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Codonopsis Ovata (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Eucalyptus Alata (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Eucalyptus Alba (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Eucalyptus Albens (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Eucalyptus Amplifolia (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Eucalyptus Apodophylla (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Eucalyptus Astringens (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Eucalyptus Australiana (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Eucalyptus Baueriana (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Eucalyptus Berghei (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Eucalyptus Camaldulensis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Eucalyptus Cameldulensis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Eucalyptus Campanulata (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Eucalyptus Cinerea (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Eucalyptus Citriodora (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Eucalyptus Cladocalyx (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Eucalyptus Coccifera (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Eucalyptus Cordata (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Eucalyptus Crebra (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Eucalyptus Dealbata (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Eucalyptus Decorticans (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Eucalyptus Deglupta (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Eucalyptus Delegatensis (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Eucalyptus Dives (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Eucalyptus Dundasii (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Eucalyptus Exserta (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Eucalyptus Flocktoniae (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Eucalyptus Foecunda (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Eucalyptus Froggattii (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Eucalyptus Goniocalyx (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Eucalyptus Grandis (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Eucalyptus Gunnii (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Eucalyptus Haemastoma (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Eucalyptus Hybrid (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Eucalyptus Hybrida (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Eucalyptus Jenseni (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Eucalyptus Jensenii (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Eucalyptus Kirtoniana (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Eucalyptus Kitsoni (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Eucalyptus Kitsoniana (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Eucalyptus Lanceolatus (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Eucalyptus Leucoxylon (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Eucalyptus Luehmanniana (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Eucalyptus Macarthurii (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Eucalyptus Macrocarpa (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Eucalyptus Macrorhyncha (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Eucalyptus Maideni (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Eucalyptus Melanophloia (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Eucalyptus Melliodora (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Eucalyptus Michaeliana (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Eucalyptus Microcorys (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Eucalyptus Microtheca (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Eucalyptus Moluccana (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Eucalyptus Obliqua (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Eucalyptus Ovata (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Eucalyptus Perriniana (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Eucalyptus Phellandra (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Eucalyptus Platypus (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Eucalyptus Polyanthemos (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Eucalyptus Populnea (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Eucalyptus Pulverulenta (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Eucalyptus Radiata (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Eucalyptus Regnans (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Eucalyptus Resinifera (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Eucalyptus Risdonii (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Eucalyptus Robusta (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Eucalyptus Rubida (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Eucalyptus Rudis (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Eucalyptus Saligna (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Eucalyptus Sieberi (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Eucalyptus Sieberiana (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Eucalyptus Smithii (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Eucalyptus Staigeriana (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Eucalyptus Tereticornis (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Eucalyptus Urnigera (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Eucalyptus Urophylla (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Eucalyptus Viminalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 95. Outgoing r'ship
FOUND_INto/from Eucalyptus Viridis (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Eucalyptus Wandoo (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Eucalyptus Youmanii (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Euchresta Formosana (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Euphorbia Formosana (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Feijoa Sellowiana (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Ficus Formosana (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Fimbristylis Ovata (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Gymnosporia Ovata (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Hippophae Fructus (Plant) Rel Props:Reference: - 105. Outgoing r'ship
FOUND_INto/from Juniperus Formosana (Plant) Rel Props:Reference: - 106. Outgoing r'ship
FOUND_INto/from Lagenandra Ovata (Plant) Rel Props:Reference: - 107. Outgoing r'ship
FOUND_INto/from Liquidambar Formosana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 108. Outgoing r'ship
FOUND_INto/from Liquidambar Orientalis (Plant) Rel Props:Reference: - 109. Outgoing r'ship
FOUND_INto/from Liquidambar Styraciflua (Plant) Rel Props:Reference: - 110. Outgoing r'ship
FOUND_INto/from Magnolia Ovata (Plant) Rel Props:Reference: - 111. Outgoing r'ship
FOUND_INto/from Michelia Compressa (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Phoebe Formosana (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Plantago Ovata (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Polypodiodes Formosana (Plant) Rel Props:Reference: - 115. Outgoing r'ship
FOUND_INto/from Psidium Acutangulum (Plant) Rel Props:Reference: - 116. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 117. Outgoing r'ship
FOUND_INto/from Rhamnus Formosana (Plant) Rel Props:Reference: - 118. Outgoing r'ship
FOUND_INto/from Salix Viminalis (Plant) Rel Props:Reference: - 119. Outgoing r'ship
FOUND_INto/from Sida Ovata (Plant) Rel Props:Reference: - 120. Outgoing r'ship
FOUND_INto/from Spiraea Formosana (Plant) Rel Props:Reference: - 121. Outgoing r'ship
FOUND_INto/from Tournefortia Ovata (Plant) Rel Props:Reference: - 122. Outgoing r'ship
FOUND_INto/from Tylophora Ovata (Plant) Rel Props:Reference: - 123. Outgoing r'ship
FOUND_INto/from Vitis Adnata (Plant) Rel Props:Reference: - 124. Outgoing r'ship
FOUND_INto/from Vitis Amurensis (Plant) Rel Props:Reference: - 125. Outgoing r'ship
FOUND_INto/from Vitis Araneosus (Plant) Rel Props:Reference: - 126. Outgoing r'ship
FOUND_INto/from Vitis Betulifolia (Plant) Rel Props:Reference: - 127. Outgoing r'ship
FOUND_INto/from Vitis Bifurcate (Plant) Rel Props:Reference: - 128. Outgoing r'ship
FOUND_INto/from Vitis Carnosa (Plant) Rel Props:Reference: - 129. Outgoing r'ship
FOUND_INto/from Vitis Coignetiae (Plant) Rel Props:Reference: - 130. Outgoing r'ship
FOUND_INto/from Vitis Heyneana (Plant) Rel Props:Reference: - 131. Outgoing r'ship
FOUND_INto/from Vitis Indica (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Vitis Labrusca (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Vitis Lanata (Plant) Rel Props:Reference: - 134. Outgoing r'ship
FOUND_INto/from Vitis Latifolia (Plant) Rel Props:Reference: - 135. Outgoing r'ship
FOUND_INto/from Vitis Pallida (Plant) Rel Props:Reference: - 136. Outgoing r'ship
FOUND_INto/from Vitis Pedata (Plant) Rel Props:Reference: - 137. Outgoing r'ship
FOUND_INto/from Vitis Planicaulis (Plant) Rel Props:Reference: - 138. Outgoing r'ship
FOUND_INto/from Vitis Quadrangularis (Plant) Rel Props:Reference: - 139. Outgoing r'ship
FOUND_INto/from Vitis Repens (Plant) Rel Props:Reference: - 140. Outgoing r'ship
FOUND_INto/from Vitis Rugosa (Plant) Rel Props:Reference: - 141. Outgoing r'ship
FOUND_INto/from Vitis Setosa (Plant) Rel Props:Reference: - 142. Outgoing r'ship
FOUND_INto/from Vitis Silvestris (Plant) Rel Props:Reference: - 143. Outgoing r'ship
FOUND_INto/from Vitis Tomentosa (Plant) Rel Props:Reference: - 144. Outgoing r'ship
FOUND_INto/from Vitis Trifolia (Plant) Rel Props:Reference: - 145. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Reference: - 146. Outgoing r'ship
FOUND_INto/from Vitis Vulpina (Plant) Rel Props:Reference: