cis-(-)-Heptadeca-1,9-dien-4,6-diyn-3-ol
PubChem CID: 5353620
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| Compound Synonyms | Falcarinol, Panaxynol, 1,9-Heptadecadiene-4,6-diyn-3-ol, (3R,9Z)-, SCHEMBL3969140, UGJAEDFOKNAMQD-ZHACJKMWSA-N, cis-(-)-Heptadeca-1,9-dien-4,6-diyn-3-ol, (9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol, (-)-, Falcarinol (Z)-(-)-1,9-heptadecadiene-4,6-diyne-3-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Description | Carrotatoxin, also known as falcarinol, (Z)-isomer or panaxynol, is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Carrotatoxin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carrotatoxin can be found in carrot and wild carrot, which makes carrotatoxin a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E)-heptadeca-1,9-dien-4,6-diyn-3-ol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 5.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C17H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGJAEDFOKNAMQD-ZHACJKMWSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -4.884 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.354 |
| Synonyms | (Z)-(R)-Heptadeca-1,9-diene-4,6-diyn-3-ol, Carotatoxin, Carrotatoxin, (3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol, (Z)-(-)-1,9-Heptadecadiene-4,6-diyne-3-ol, Falcarinol, Falcarinol, (Z)-isomer, Panaxynol |
| Compound Name | cis-(-)-Heptadeca-1,9-dien-4,6-diyn-3-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 244.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.2858436 |
| Inchi | InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10+ |
| Smiles | CCCCCCC/C=C/CC#CC#CC(C=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
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FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Angelica Anomala (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Angelica Archangelica (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Angelica Cyclocarpa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Angelica Decursiva (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Angelica Furcijuga (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Angelica Genuflexa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Angelica Glabra (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Angelica Glauca (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Angelica Hirsutiflora (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Angelica Japonica (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Angelica Keiskei (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Angelica Lucida (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Angelica Nubigena (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Angelica Officinalis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Angelica Pachycarpa (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Angelica Saxatilis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Angelica Sylvestris (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Angelica Taiwaniana (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Angelica Talwaniana (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Angelica Tarokoensis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Angelica Tenuissima (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Angelica Ursina (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Annona Reticulata (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Araiostegia Divaricata (Plant) Rel Props:Reference: - 33. Outgoing r'ship
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FOUND_INto/from Aristolochia Littoralis (Plant) Rel Props:Reference: - 35. Outgoing r'ship
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FOUND_INto/from Bauhinia Divaricata (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Bretschneidera Sinensis (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Calostephane Divaricata (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Canarium Vulgare (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Capparis Divaricata (Plant) Rel Props:Reference: - 42. Outgoing r'ship
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FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Citrus Acida (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Citrus Aurantifolia (Plant) Rel Props:Reference: - 47. Outgoing r'ship
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FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Citrus Bergamia (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Citrus Chachiensis (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Citrus Decumana (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Citrus Erythrosa (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Citrus Funadoko (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Citrus Glauca (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Citrus Grandis (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Citrus Hassaku (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Citrus Hybr (Plant) Rel Props:Reference: - 58. Outgoing r'ship
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FOUND_INto/from Citrus Indica (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Citrus Jambhiri (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Citrus Japonica (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Citrus Junos (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Citrus Latifolia (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Citrus Latipes (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Citrus Limonia (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Citrus Mitis (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Citrus Nobilis (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Citrus Paradisi (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Citrus Pennivesiculata (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Citrus Pseudolimon (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Citrus Reshni (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 77. Outgoing r'ship
FOUND_INto/from Citrus Reticulate (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Citrus Rugulosa (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference: - 80. Outgoing r'ship
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FOUND_INto/from Citrus Tangemna (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Citrus Tangerina (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Citrus Tankan (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 88. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Citrus X (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Citrus Yuko (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Clinopodium Vulgare (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Cordia Sinensis (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Cordyceps Sinensis (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Cryptolepis Sinensis (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all - 96. Outgoing r'ship
FOUND_INto/from Derris Reticulata (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Diphylleia Sinensis (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Dolichos Sinensis (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Drypetes Littoralis (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Echium Vulgare (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Eleutherococcus Giraldii (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Eleutherococcus Gracilistylus (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 104. Outgoing r'ship
FOUND_INto/from Eleutherococcus Sessiliflorus (Plant) Rel Props:Reference: - 105. Outgoing r'ship
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FOUND_INto/from Ginseng (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Gleditsia Sinensis (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 115. Outgoing r'ship
FOUND_INto/from Griselinia Littoralis (Plant) Rel Props:Reference: - 116. Outgoing r'ship
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FOUND_INto/from Manilkara Littoralis (Plant) Rel Props:Reference: - 127. Outgoing r'ship
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FOUND_INto/from Morinda Reticulata (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Neottia Sinensis (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Nyssa Sinensis (Plant) Rel Props:Reference: - 134. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference: - 135. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 136. Outgoing r'ship
FOUND_INto/from Panax Innovans (Plant) Rel Props:Reference: - 137. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Reference: - 138. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 139. Outgoing r'ship
FOUND_INto/from Panax Papyrifer (Plant) Rel Props:Reference: - 140. Outgoing r'ship
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FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 143. Outgoing r'ship
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FOUND_INto/from Saccharum Sinensis (Plant) Rel Props:Reference: - 151. Outgoing r'ship
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FOUND_INto/from Schefflera Divaricata (Plant) Rel Props:Reference: - 156. Outgoing r'ship
FOUND_INto/from Scopolia Sinensis (Plant) Rel Props:Reference: - 157. Outgoing r'ship
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FOUND_INto/from Sorghum Vulgare (Plant) Rel Props:Reference: - 159. Outgoing r'ship
FOUND_INto/from Spiranthes Sinensis (Plant) Rel Props:Reference: - 160. Outgoing r'ship
FOUND_INto/from Tabernaemontana Divaricata (Plant) Rel Props:Reference: - 161. Outgoing r'ship
FOUND_INto/from Tanacetum Vulgare (Plant) Rel Props:Reference: - 162. Outgoing r'ship
FOUND_INto/from Tinospora Sinensis (Plant) Rel Props:Reference: - 163. Outgoing r'ship
FOUND_INto/from Toona Sinensis (Plant) Rel Props:Reference: - 164. Outgoing r'ship
FOUND_INto/from Tripolium Vulgare (Plant) Rel Props:Reference: - 165. Outgoing r'ship
FOUND_INto/from Triticum Vulgare (Plant) Rel Props:Reference: - 166. Outgoing r'ship
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FOUND_INto/from Utricularia Reticulata (Plant) Rel Props:Reference: - 168. Outgoing r'ship
FOUND_INto/from Verbena Littoralis (Plant) Rel Props:Reference: - 169. Outgoing r'ship
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