(2S,4R)-p-Mentha-1(7),5-dien-2-ol
PubChem CID: 5319361
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (2S,4R)-p-Mentha-1(7),5-dien-2-ol, trans-1(7),5-p-Menthadien-2-ol, 1(7),2-p-Menthadien-6-ol, 2-methylidene-5-propan-2-ylcyclohex-3-en-1-ol, 2-methylidene-5-(propan-2-yl)cyclohex-3-en-1-ol, SCHEMBL23883555, p-Mentha-1(7),2-dien-6-ol, CHEBI:171985, VKAGFXRPRUAOHV-UHFFFAOYSA-N, trans-(-)-p-Mentha-1(7),5-dien-2-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | (2s,4r)-p-mentha-1(7),5-dien-2-ol is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes (2s,4r)-p-mentha-1(7),5-dien-2-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (2s,4r)-p-mentha-1(7),5-dien-2-ol can be found in herbs and spices and pepper (spice), which makes (2s,4r)-p-mentha-1(7),5-dien-2-ol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylidene-5-propan-2-ylcyclohex-3-en-1-ol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 2.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H16O |
| Inchi Key | VKAGFXRPRUAOHV-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (-)(EtOH)-trans-p-Mentha-1(7),5-dien-2-ol, (2S,4R)-p-Mentha-1(7),5-dien-2-ol, trans-(-)-p-Mentha-1(7),5-dien-2-ol, trans-(-)-P-Mentha-1(7),5-dien-2-ol |
| Compound Name | (2S,4R)-p-Mentha-1(7),5-dien-2-ol |
| Kingdom | Organic compounds |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,7,9-11H,3,6H2,1-2H3 |
| Smiles | CC(C)C1CC(C(=C)C=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all