2-Methylisoborneol
PubChem CID: 16913
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| Compound Synonyms | 2-METHYLISOBORNEOL, 1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol, 2-Bornanol, 2-methyl-, CCRIS 6593, 68330-43-8, Bicyclo(2.2.1)heptan-2-ol, 1,2,7,7-tetramethyl-, exo-, 3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol, (-)-2-Methyl Isoborneol, Bicyclo[2.2.1]heptan-2-ol, 1,2,7,7-tetramethyl-, (1R-exo)-, 18680-50-7, D43XMP4DNW, 1,2,7,7-tetramethylbicyclo(2.2.1)heptan-2-ol, 3,4,7,7-tetramethylbicyclo(2.2.1)heptan-3-ol, CHEBI:61987, DTXSID90940148, 2-Methylborneol, 1,2,7,7-Tetramethyl-exo-bicycloheptan-2-ol, starbld0001530, UNII-D43XMP4DNW, SCHEMBL50282, LFYXNXGVLGKVCJ-UHFFFAOYSA-N, DTXCID001513414, 2-Norbornanol, 1,2,7,7-tetramethyl-, 1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol #, Q1082826, (1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol |
|---|---|
| Ghose Rule | True |
| 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 | Camphane monoterpenoids |
| Deep Smiles | CCCCCC5C)C))CC6C)O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Prenol lipids |
| Description | Found in polluted water, causes objectionable odour of water supplies. Implicated in off-flavour of freshwater fish and shellfish |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309 |
| Iupac Name | 1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Inchi Key | LFYXNXGVLGKVCJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 2-Methylisoborneol, 2-bornanol, 2-methyl isoborneol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 2-Methylisoborneol |
| Kingdom | Organic compounds |
| Exact Mass | 168.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3 |
| Smiles | CC1(C2CCC1(C(C2)(C)O)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Bicyclic monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Malaccensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751058 - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279