(+)-Angelicoidenol
PubChem CID: 535224
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| Compound Synonyms | (+)-Angelicoidenol, HLVIHBJQDKVEAL-UHFFFAOYSA-N, AKOS000267587, 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,5-diol # |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | HLVIHBJQDKVEAL-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | (+)-Angelicoidenol |
| Kingdom | Organic compounds |
| Description | (+)-angelicoidenol is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other (+)-angelicoidenol is soluble (in water) and a very weakly acidic compound (based on its pKa). (+)-angelicoidenol can be found in ginger, which makes (+)-angelicoidenol a potential biomarker for the consumption of this food product. |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol |
| Total Atom Stereocenter Count | 4.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C10H18O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3 |
| Smiles | CC1(C2CC(C1(CC2O)C)O)C |
| Xlogp | 1.4 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Monoterpenoids |
| Taxonomy Direct Parent | Bicyclic monoterpenoids |
| Molecular Formula | C10H18O2 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all