6-(3-Hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
PubChem CID: 15858385
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| Compound Synonyms | 6-(3-Hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one, 139085-16-8, DTXSID90578925, 2-Hepten-4-one, 6-(3-hydroxy-4-methylphenyl)-2-methyl-, 6-(3-Hydroxy-4-methylphenyl)-2-methyl-2-hepten-4-one, SCHEMBL6421262, 2-Methyl-6-(3-hydroxy-4-methylphenyl)-2-hepten-4-one, DTXCID70529692 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Bisabolane sesquiterpenoids |
| Deep Smiles | CC=CC=O)CCcccccc6)O))C)))))C)))))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of turmeric (Curcuma longa). Turmeronol A is found in turmeric and herbs and spices. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H20O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | OSIFVLKZUWRNBN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | Turmeronol A, turmeronol a |
| Esol Class | Soluble |
| Functional Groups | CC(=O)C=C(C)C, cO |
| Compound Name | 6-(3-Hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one |
| Kingdom | Organic compounds |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3 |
| Smiles | CC1=C(C=C(C=C1)C(C)CC(=O)C=C(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Sesquiterpenoids |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:fooddb_chem_all