Lucialdehyde B
PubChem CID: 10343868
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | lucialdehyde B, CHEBI:66593, (24E)-3,7-dioxolanosta-8,24-dien-26-al, 480439-84-7, (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enal, (E,6R)-2-methyl-6-((5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)hept-2-enal, CHEMBL463372, AKOS040761997, HY-125664, CS-0092946, Q27135208 |
|---|---|
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 936.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enal |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C30H44O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KZOBOICRKKYGAQ-GOUGDUPLSA-N |
| Fcsp3 | 0.7666666666666667 |
| Logs | -5.534 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.772 |
| Compound Name | Lucialdehyde B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 452.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.329 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 452.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.285609800000001 |
| Inchi | InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1 |
| Smiles | C[C@H](CC/C=C(\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anchusa Strigosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Archidendron Lucidum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Barleria Acanthoides (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Barleria Acuminata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Barleria Alluaudii (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Barleria Buxifolia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Barleria Courtallica (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Barleria Cristata (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Barleria Cuspidata (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Barleria Dichotoma (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Barleria Involucrata (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Barleria Longiflora (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Barleria Lupulina (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Barleria Mysorensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Barleria Noctiflora (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Barleria Prattensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Barleria Prionitis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Barleria Strigosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Begonia Inflata (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Cassia Occidentalis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Cephalanthus Occidentalis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Chrysanthemum Sinense (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Coussarea Paniculata (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Dirca Occidentalis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Erythroxylon Lucidum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Frullania Brasiliensis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Frullania Brittoniae (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Frullania Tamarisci (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Gouania Leptostachya (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Gouania Microcarpa (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Gouania Tiliaefolia (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Isodon Shikokiana (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Juniperus Ashei (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Juniperus Bermudiana (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Juniperus Brevifolia (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Juniperus Drupacea (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Juniperus Excelsa (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Juniperus Formosana (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Juniperus Horizontalis (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Juniperus Indica (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Juniperus Macropoda (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Juniperus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
FOUND_INto/from Juniperus Oxycedrus (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Juniperus Phoenicea (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Juniperus Polycarpos (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Juniperus Procera (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Juniperus Pseudosabina (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Juniperus Recurva (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Juniperus Sabina (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Juniperus Scopulorum (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Juniperus Semiglobosa (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Juniperus Serawschanica (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Juniperus Silicicola (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Juniperus Squamata (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Juniperus Taiwaniana (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Juniperus Thurifera (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Juniperus Virginiana (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Ligusticum Lucidum (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Ligustrum Sinense (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Limonium Sinense (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Lobelia Inflata (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Onychium Lucidum (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Petunia Integrifolia (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Platanus Occidentalis (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Pouzolzia Occidentalis (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Rubus Occidentalis (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Silene Inflata (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Solanum Acaule (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Solanum Aculeatissimum (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Solanum Aculeatum (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Solanum Americanum (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Solanum Andigena (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Solanum Anguivi (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Solanum Arundo (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Solanum Asperolanatum (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Solanum Aviculare (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Solanum Bahamense (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Solanum Berthaultii (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Solanum Boerhaavii (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Solanum Capsicastrum (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Solanum Capsicoides (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Solanum Chacoense (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Solanum Chilense (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Solanum Ciliatum (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Solanum Coccineum (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Solanum Crinitum (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Solanum Demissum (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Solanum Diflorum (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Solanum Dubium (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Solanum Dulcamara (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Solanum Elaeagnifolium (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Solanum Erianthum (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Solanum Euacanthum (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Solanum Ferox (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Solanum Forskalii (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Solanum Giganteum (Plant) Rel Props:Reference: - 105. Outgoing r'ship
FOUND_INto/from Solanum Incanum (Plant) Rel Props:Reference: - 106. Outgoing r'ship
FOUND_INto/from Solanum Indicum (Plant) Rel Props:Reference: - 107. Outgoing r'ship
FOUND_INto/from Solanum Jacquini (Plant) Rel Props:Reference: - 108. Outgoing r'ship
FOUND_INto/from Solanum Jamaicense (Plant) Rel Props:Reference: - 109. Outgoing r'ship
FOUND_INto/from Solanum Jasminoides (Plant) Rel Props:Reference: - 110. Outgoing r'ship
FOUND_INto/from Solanum Khasianum (Plant) Rel Props:Reference: - 111. Outgoing r'ship
FOUND_INto/from Solanum Kurzii (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Solanum Laciniatum (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Solanum Lanceolatum (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Solanum Lasiocarpum (Plant) Rel Props:Reference: - 115. Outgoing r'ship
FOUND_INto/from Solanum Laxum (Plant) Rel Props:Reference: - 116. Outgoing r'ship
FOUND_INto/from Solanum Lycoicum (Plant) Rel Props:Reference: - 117. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Reference: - 118. Outgoing r'ship
FOUND_INto/from Solanum Mauritianum (Plant) Rel Props:Reference: - 119. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Reference: - 120. Outgoing r'ship
FOUND_INto/from Solanum Myriacanthum (Plant) Rel Props:Reference: - 121. Outgoing r'ship
FOUND_INto/from Solanum Nigrum (Plant) Rel Props:Reference: - 122. Outgoing r'ship
FOUND_INto/from Solanum Olgae (Plant) Rel Props:Reference: - 123. Outgoing r'ship
FOUND_INto/from Solanum Platanifolium (Plant) Rel Props:Reference: - 124. Outgoing r'ship
FOUND_INto/from Solanum Pseudocapsicum (Plant) Rel Props:Reference: - 125. Outgoing r'ship
FOUND_INto/from Solanum Pseudopersicum (Plant) Rel Props:Reference: - 126. Outgoing r'ship
FOUND_INto/from Solanum Pseudoquina (Plant) Rel Props:Reference: - 127. Outgoing r'ship
FOUND_INto/from Solanum Pubescens (Plant) Rel Props:Reference: - 128. Outgoing r'ship
FOUND_INto/from Solanum Racemigerum (Plant) Rel Props:Reference: - 129. Outgoing r'ship
FOUND_INto/from Solanum Sarmentosum (Plant) Rel Props:Reference: - 130. Outgoing r'ship
FOUND_INto/from Solanum Sarrachoides (Plant) Rel Props:Reference: - 131. Outgoing r'ship
FOUND_INto/from Solanum Seaforthianum (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Solanum Sisymbrifolium (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Solanum Sisymbriifolium (Plant) Rel Props:Reference: - 134. Outgoing r'ship
FOUND_INto/from Solanum Sodomaeum (Plant) Rel Props:Reference: - 135. Outgoing r'ship
FOUND_INto/from Solanum Sodomeum (Plant) Rel Props:Reference: - 136. Outgoing r'ship
FOUND_INto/from Solanum Spirale (Plant) Rel Props:Reference: - 137. Outgoing r'ship
FOUND_INto/from Solanum Stramoniifolium (Plant) Rel Props:Reference: - 138. Outgoing r'ship
FOUND_INto/from Solanum Sublobatum (Plant) Rel Props:Reference: - 139. Outgoing r'ship
FOUND_INto/from Solanum Surattense (Plant) Rel Props:Reference: - 140. Outgoing r'ship
FOUND_INto/from Solanum Torvum (Plant) Rel Props:Reference: - 141. Outgoing r'ship
FOUND_INto/from Solanum Toxicarium (Plant) Rel Props:Reference: - 142. Outgoing r'ship
FOUND_INto/from Solanum Toxicarum (Plant) Rel Props:Reference: - 143. Outgoing r'ship
FOUND_INto/from Solanum Transcaucasicum (Plant) Rel Props:Reference: - 144. Outgoing r'ship
FOUND_INto/from Solanum Trilobatum (Plant) Rel Props:Reference: - 145. Outgoing r'ship
FOUND_INto/from Solanum Tripartitum (Plant) Rel Props:Reference: - 146. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference: - 147. Outgoing r'ship
FOUND_INto/from Solanum Verbascifolium (Plant) Rel Props:Reference: - 148. Outgoing r'ship
FOUND_INto/from Solanum Viarum (Plant) Rel Props:Reference: - 149. Outgoing r'ship
FOUND_INto/from Solanum Villosum (Plant) Rel Props:Reference: - 150. Outgoing r'ship
FOUND_INto/from Solanum Violaceum (Plant) Rel Props:Reference: - 151. Outgoing r'ship
FOUND_INto/from Solanum Virginianum (Plant) Rel Props:Reference: - 152. Outgoing r'ship
FOUND_INto/from Solanum Virginiatum (Plant) Rel Props:Reference: - 153. Outgoing r'ship
FOUND_INto/from Solanum Wrightii (Plant) Rel Props:Reference: - 154. Outgoing r'ship
FOUND_INto/from Solanum Xanthocarpum (Plant) Rel Props:Reference: - 155. Outgoing r'ship
FOUND_INto/from Stenostomum Lucidum (Plant) Rel Props:Reference: - 156. Outgoing r'ship
FOUND_INto/from Tetracentron Sinense (Plant) Rel Props:Reference: - 157. Outgoing r'ship
FOUND_INto/from Thalictrum Lucidum (Plant) Rel Props:Reference: - 158. Outgoing r'ship
FOUND_INto/from Thermopsis Inflata (Plant) Rel Props:Reference: - 159. Outgoing r'ship
FOUND_INto/from Thuja Occidentalis (Plant) Rel Props:Reference: - 160. Outgoing r'ship
FOUND_INto/from Trachelospermum Lucidum (Plant) Rel Props:Reference: - 161. Outgoing r'ship
FOUND_INto/from Urtica Hyperborea (Plant) Rel Props:Reference: - 162. Outgoing r'ship
FOUND_INto/from Vigna Aconitifolia (Plant) Rel Props:Reference: - 163. Outgoing r'ship
FOUND_INto/from Vigna Adenantha (Plant) Rel Props:Reference: - 164. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Reference: - 165. Outgoing r'ship
FOUND_INto/from Vigna Catjang (Plant) Rel Props:Reference: - 166. Outgoing r'ship
FOUND_INto/from Vigna Dalzelliana (Plant) Rel Props:Reference: - 167. Outgoing r'ship
FOUND_INto/from Vigna Grahmianus (Plant) Rel Props:Reference: - 168. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 169. Outgoing r'ship
FOUND_INto/from Vigna Pilosa (Plant) Rel Props:Reference: - 170. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Reference: - 171. Outgoing r'ship
FOUND_INto/from Vigna Trilobata (Plant) Rel Props:Reference: - 172. Outgoing r'ship
FOUND_INto/from Vigna Umbellata (Plant) Rel Props:Reference: - 173. Outgoing r'ship
FOUND_INto/from Vigna Umbeuata (Plant) Rel Props:Reference: - 174. Outgoing r'ship
FOUND_INto/from Vigna Unguiculata (Plant) Rel Props:Reference: - 175. Outgoing r'ship
FOUND_INto/from Vigna Vexillata (Plant) Rel Props:Reference: