Pinocarvyl acetate, trans-(-)-
PubChem CID: 12858461
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Pinocarvyl acetate, trans-(-)-, 36F6A8IV0P, Fema No. 4807, trans-(-)-, UNII-36F6A8IV0P, 2(10)-Pinen-3-ol, acetate, trans-(-)-, 4955-29-7, Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, 3-acetate, (1S,3R,5S)-, UDBAGFUFASPUFS-HBNTYKKESA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1S,3R,5S)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C12H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UDBAGFUFASPUFS-HBNTYKKESA-N |
| Fcsp3 | 0.75 |
| Logs | -2.982 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.683 |
| Compound Name | Pinocarvyl acetate, trans-(-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 194.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3992988 |
| Inchi | InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11+/m0/s1 |
| Smiles | CC(=O)O[C@@H]1C[C@@H]2C[C@H](C1=C)C2(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Gigas (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aglaia Cordata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aleurites Cordata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Alnus Cordata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Angelica Anomala (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Angelica Archangelica (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Angelica Cyclocarpa (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Angelica Decursiva (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Angelica Furcijuga (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Angelica Genuflexa (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Angelica Glabra (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Angelica Glauca (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Angelica Hirsutiflora (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Angelica Japonica (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Angelica Keiskei (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Angelica Lucida (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Angelica Nubigena (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Angelica Officinalis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Angelica Pachycarpa (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Angelica Saxatilis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Angelica Sylvestris (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Angelica Taiwaniana (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Angelica Talwaniana (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Angelica Tarokoensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Angelica Tenuissima (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Angelica Ursina (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Aralia Cordata (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Artemisia Abrotanum (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Artemisia Afra (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Artemisia Anomala (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Artemisia Arborescens (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Artemisia Arbuscula (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Artemisia Argentea (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Artemisia Assoana (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Artemisia Aucheri (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Artemisia Austriaca (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Artemisia Biennis (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Artemisia Bigelovii (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Artemisia Brevifolia (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Artemisia Caerulescens (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Artemisia Campestris (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Artemisia Canariensis (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Artemisia Capillari (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Artemisia Capillaries (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 56. Outgoing r'ship
FOUND_INto/from Artemisia Carvifolia (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Artemisia Caucasica (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Artemisia Cina (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Artemisia Coerulescens (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Artemisia Dentata (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Artemisia Desertorum (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Artemisia Gilvescens (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Artemisia Giraldii (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Artemisia Glabella (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Artemisia Gmelini (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Artemisia Gmelinii (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Artemisia Halodendron (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Artemisia Hanseniana (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Artemisia Incanescens (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Artemisia Indica (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Artemisia Iwayomogi (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Artemisia Jacutica (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Artemisia Japonica (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Artemisia Judaica (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Artemisia Juncea (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Artemisia Klotzchiana (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Artemisia Kurramensis (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Artemisia Laciniata (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Artemisia Lactiflora (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Artemisia Ludoviciana (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Artemisia Macrocephala (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Artemisia Maderaspatana (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Artemisia Maritima (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Artemisia Mesatlantica (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Artemisia Mexicana (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Artemisia Minor (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Artemisia Mongolica (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Artemisia Monogyna (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Artemisia Monosperma (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Artemisia Moorcroftiana (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Artemisia Myriantha (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Artemisia Niirica (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Artemisia Nilagirica (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Artemisia Oranensis (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Artemisia Pallens (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Artemisia Parviflora (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Artemisia Pectinata (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Artemisia Pedemontana (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Artemisia Persica (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Artemisia Porrecta (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Reference: - 105. Outgoing r'ship
FOUND_INto/from Artemisia Rehan (Plant) Rel Props:Reference: - 106. Outgoing r'ship
FOUND_INto/from Artemisia Roxbugiana (Plant) Rel Props:Reference: - 107. Outgoing r'ship
FOUND_INto/from Artemisia Roxburghiana (Plant) Rel Props:Reference: - 108. Outgoing r'ship
FOUND_INto/from Artemisia Rubripes (Plant) Rel Props:Reference: - 109. Outgoing r'ship
FOUND_INto/from Artemisia Rupestris (Plant) Rel Props:Reference: - 110. Outgoing r'ship
FOUND_INto/from Artemisia Rutifolia (Plant) Rel Props:Reference: - 111. Outgoing r'ship
FOUND_INto/from Artemisia Salsoloides (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Artemisia Schimperi (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Artemisia Schmidtiana (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Artemisia Schrenkiana (Plant) Rel Props:Reference: - 115. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Reference: - 116. Outgoing r'ship
FOUND_INto/from Artemisia Sieversiana (Plant) Rel Props:Reference: - 117. Outgoing r'ship
FOUND_INto/from Artemisia Siversiana (Plant) Rel Props:Reference: - 118. Outgoing r'ship
FOUND_INto/from Artemisia Stracheyi (Plant) Rel Props:Reference: - 119. Outgoing r'ship
FOUND_INto/from Artemisia Sylvatica (Plant) Rel Props:Reference: - 120. Outgoing r'ship
FOUND_INto/from Artemisia Taurica (Plant) Rel Props:Reference: - 121. Outgoing r'ship
FOUND_INto/from Artemisia Tournefortiana (Plant) Rel Props:Reference: - 122. Outgoing r'ship
FOUND_INto/from Artemisia Tridentata (Plant) Rel Props:Reference: - 123. Outgoing r'ship
FOUND_INto/from Artemisia Umbelliformis (Plant) Rel Props:Reference: - 124. Outgoing r'ship
FOUND_INto/from Artemisia Urghiana (Plant) Rel Props:Reference: - 125. Outgoing r'ship
FOUND_INto/from Artemisia Vachanica (Plant) Rel Props:Reference: - 126. Outgoing r'ship
FOUND_INto/from Artemisia Vestita (Plant) Rel Props:Reference: - 127. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Reference: - 128. Outgoing r'ship
FOUND_INto/from Artemisia Wallichiana (Plant) Rel Props:Reference: - 129. Outgoing r'ship
FOUND_INto/from Bretschneidera Sinensis (Plant) Rel Props:Reference: - 130. Outgoing r'ship
FOUND_INto/from Buddleja Cordata (Plant) Rel Props:Reference: - 131. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Carpinus Cordata (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Cephalotaxus Sinensis (Plant) Rel Props:Reference: - 134. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Reference: - 135. Outgoing r'ship
FOUND_INto/from Circaea Cordata (Plant) Rel Props:Reference: - 136. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference: - 137. Outgoing r'ship
FOUND_INto/from Cordia Sinensis (Plant) Rel Props:Reference: - 138. Outgoing r'ship
FOUND_INto/from Cordyceps Sinensis (Plant) Rel Props:Reference: - 139. Outgoing r'ship
FOUND_INto/from Cryptolepis Sinensis (Plant) Rel Props:Reference: - 140. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 141. Outgoing r'ship
FOUND_INto/from Daucus Sativus (Plant) Rel Props:Reference: - 142. Outgoing r'ship
FOUND_INto/from Diphylleia Sinensis (Plant) Rel Props:Reference: - 143. Outgoing r'ship
FOUND_INto/from Dolichos Sinensis (Plant) Rel Props:Reference: - 144. Outgoing r'ship
FOUND_INto/from Drymaria Cordata (Plant) Rel Props:Reference: - 145. Outgoing r'ship
FOUND_INto/from Entada Gigas (Plant) Rel Props:Reference: - 146. Outgoing r'ship
FOUND_INto/from Eucalyptus Cordata (Plant) Rel Props:Reference: - 147. Outgoing r'ship
FOUND_INto/from Ficus Cordata (Plant) Rel Props:Reference: - 148. Outgoing r'ship
FOUND_INto/from Gleditsia Sinensis (Plant) Rel Props:Reference: - 149. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 150. Outgoing r'ship
FOUND_INto/from Incarvillea Sinensis (Plant) Rel Props:Reference: - 151. Outgoing r'ship
FOUND_INto/from Juglans Sinensis (Plant) Rel Props:Reference: - 152. Outgoing r'ship
FOUND_INto/from Macaranga Sinensis (Plant) Rel Props:Reference: - 153. Outgoing r'ship
FOUND_INto/from Macleaya Cordata (Plant) Rel Props:Reference: - 154. Outgoing r'ship
FOUND_INto/from Mikania Cordata (Plant) Rel Props:Reference: - 155. Outgoing r'ship
FOUND_INto/from Miliusa Sinensis (Plant) Rel Props:Reference: - 156. Outgoing r'ship
FOUND_INto/from Miscanthus Sinensis (Plant) Rel Props:Reference: - 157. Outgoing r'ship
FOUND_INto/from Neottia Sinensis (Plant) Rel Props:Reference: - 158. Outgoing r'ship
FOUND_INto/from Nyssa Sinensis (Plant) Rel Props:Reference: - 159. Outgoing r'ship
FOUND_INto/from Orymaria Cordata (Plant) Rel Props:Reference: - 160. Outgoing r'ship
FOUND_INto/from Pseudotsuga Sinensis (Plant) Rel Props:Reference: - 161. Outgoing r'ship
FOUND_INto/from Saccharum Sinensis (Plant) Rel Props:Reference: - 162. Outgoing r'ship
FOUND_INto/from Salacia Cordata (Plant) Rel Props:Reference: - 163. Outgoing r'ship
FOUND_INto/from Scopolia Sinensis (Plant) Rel Props:Reference: - 164. Outgoing r'ship
FOUND_INto/from Selaginella Sinensis (Plant) Rel Props:Reference: - 165. Outgoing r'ship
FOUND_INto/from Sida Cordata (Plant) Rel Props:Reference: - 166. Outgoing r'ship
FOUND_INto/from Spiranthes Sinensis (Plant) Rel Props:Reference: - 167. Outgoing r'ship
FOUND_INto/from Swertia Cordata (Plant) Rel Props:Reference: - 168. Outgoing r'ship
FOUND_INto/from Telosma Cordata (Plant) Rel Props:Reference: - 169. Outgoing r'ship
FOUND_INto/from Tetraria Capillaris (Plant) Rel Props:Reference: - 170. Outgoing r'ship
FOUND_INto/from Tilia Cordata (Plant) Rel Props:Reference: - 171. Outgoing r'ship
FOUND_INto/from Tinospora Sinensis (Plant) Rel Props:Reference: - 172. Outgoing r'ship
FOUND_INto/from Toona Sinensis (Plant) Rel Props:Reference: - 173. Outgoing r'ship
FOUND_INto/from Trichosanthes Cordata (Plant) Rel Props:Reference: - 174. Outgoing r'ship
FOUND_INto/from Uncaria Cordata (Plant) Rel Props:Reference: - 175. Outgoing r'ship
FOUND_INto/from Uncaria Sinensis (Plant) Rel Props:Reference: - 176. Outgoing r'ship
FOUND_INto/from Wisteria Sinensis (Plant) Rel Props:Reference: