alpha-Fenchol
PubChem CID: 439711
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| Compound Synonyms | 512-13-0, (-)-endo-Fenchol, alpha-Fenchol, (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol, alpha-Fenchyl alcohol, Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1S,2S,4R)-, (-)-alpha-Fenchyl alcohol, UJ108AQX3M, endo-Fenchol, Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S,2S,4R)-, 2-Fenchanol, endo-alpha-Fenchol, rel-(1S,2S,4R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol, (-)-alpha-fenchol, (1S,2S,4R)-1,3,3-Trimethyl-bicyclo[2.2.1]heptan-2-ol, l-alpha-Fenchyl alcohol, (-)-.alpha.-Fenchol, UNII-UJ108AQX3M, EINECS 208-135-9, BRN 2038083, (1S,2-endo)-1,3,3-trimethylnorbornan-2-ol, (1S-ENDO)-FENCHOL, 4-06-00-00278 (Beilstein Handbook Reference), (1S,2S,4R)-endo-fenchol, alpha-Fenchyl alcohol, (-)-, SCHEMBL1245968, DTXSID7041205, CHEBI:15405, L-.ALPHA.-FENCHYL ALCOHOL, DTXSID101014534, Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S-endo)-, STK801828, AKOS005622496, LMPR0102120005, .ALPHA.-FENCHYL ALCOHOL, (-)-, CS-0238492, 1,3,3-Trimethyl-2-norbornanol, (1S-endo)-, C02344, G29631, 2-Norbornanol, 1,3,3-trimethyl-, (-)-endo-, EN300-19633567, Q27089421, (1S-endo)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol, alpha-fenchyl alcoholalpha-1,3,3-trimethyl-norbornan-2-ol, (1S,2S,4R)-1,3,3-trimethyl-bicyclo[2.2.1]heptan-2-ol, AldrichCPR |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC1C2 |
| Np Classifier Class | Fenchane monoterpenoids |
| Deep Smiles | O[C@H][C@@]C)CC[C@@H]C6C)C))C5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Flavouring compound [Flavornet] |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAIHUHQCLTYTSF-MRTMQBJTSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -1.487 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.727 |
| Synonyms | alpha-fenchol, alpha-fenchyl alcohol, endo- fenchol, endo-fenchol, endo-fenchol (α-fenchol), fenchol (endo), α- fenchol, α- fenchol*, α- fenchyl alcohol, α-fenchol, α-fenchol*, α-fenchyl alcohol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | alpha-Fenchol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.7934685999999997 |
| Inchi | InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1 |
| Smiles | C[C@]12CC[C@H](C1)C([C@H]2O)(C)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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FOUND_INto/from Thymbra Capitata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.947388 - 122. Outgoing r'ship
FOUND_INto/from Thymus Fedtschenkoi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699808 - 123. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643539 - 124. Outgoing r'ship
FOUND_INto/from Tinospora Hainanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 125. Outgoing r'ship
FOUND_INto/from Titanotrichum Oldhamii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 126. Outgoing r'ship
FOUND_INto/from Uvaria Microcarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 127. Outgoing r'ship
FOUND_INto/from Uvaria Narum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698112 - 128. Outgoing r'ship
FOUND_INto/from Veronica Anagallis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 129. Outgoing r'ship
FOUND_INto/from Waitzia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 130. Outgoing r'ship
FOUND_INto/from Wrightia Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 131. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference:ISBN:9788172363093 - 132. Outgoing r'ship
FOUND_INto/from Zingiber Chrysanthum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698113 - 133. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699240