(+)-m-Mentha-1(6),8-diene
PubChem CID: 12304570
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| Compound Synonyms | Sylvestrene, (+)-m-Mentha-1(6),8-diene, D-sylvestrene, (+)-Sylvestrene, Sylvestrene, (+)-, m-Mentha-1,8-diene, (+)-, 5-Isopropenyl-1-methyl-1-cyclohexene, (R)-, NS00081464, (R)-1-methyl-5-(1-methylethenyl)cyclohexene, (r)-1-methyl-5-(1-methylethenyl) cyclohexene, Q67880102 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Monocyclic monoterpenoids |
| Deep Smiles | CC=CCC[C@H]C6)C=C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Description | (+)-m-mentha-1(6),8-diene is a member of the class of compounds known as monocyclic monoterpenoids. Monocyclic monoterpenoids are monoterpenoids containing 1 ring in the isoprene chain (+)-m-mentha-1(6),8-diene can be found in parsley, which makes (+)-m-mentha-1(6),8-diene a potential biomarker for the consumption of this food product. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-1-methyl-5-prop-1-en-2-ylcyclohexene |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | JWQKMEKSFPNAIB-SNVBAGLBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | (R)-(+)-m-Mentha-6,8-diene, (5R)-1-Methyl-5-(1-methylethenyl)cyclohexene, (+)-Sylvestrene, (+)-m-Mentha-1(6),8-diene, d-Sylvestrene, d-sylvestrene, sylvestrene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC=C(C)C |
| Compound Name | (+)-m-Mentha-1(6),8-diene |
| Kingdom | Organic compounds |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1 |
| Smiles | CC1=CCC[C@H](C1)C(=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Monocyclic monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
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