Cedrenol
PubChem CID: 119831
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| Compound Synonyms | Cedrenol, 28231-03-0, Cedr-8(15)-en-9-ol, 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene-, W4QN7VCD15, EINECS 248-917-7, UNII-W4QN7VCD15, 2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol, Octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulen-5-ol, Octahydro-6-methylene-3,8,8-trimethyl-1H-3a,7-methanoazulen-5-ol, 1H-3a,7-Methanoazulen-5-ol, octahydro-6-methylene-3,8,8-trimethyl-, 2,6,6-trimethyl-8-methylidenetricyclo(5.3.1.01,5)undecan-9-ol, SCHEMBL3504932, NS00012084, 248-917-7 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | Flavouring compound [Flavornet] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 3.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DJYWGTBEZVORGE-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.0 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.471 |
| Synonyms | Cedr-8(15)-en-9-ol, octahydro-3,8,8-Trimethyl-6-methylene-1H-3a,7-methanoazulen-5-ol, Cedrenol |
| Compound Name | Cedrenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -3.4490071999999996 |
| Inchi | InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3 |
| Smiles | CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cedrane and isocedrane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Villosum (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all