2-Methyl-5-(6-methylhept-5-en-2-yl)phenol
PubChem CID: 520468
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| Compound Synonyms | 2-methyl-5-(6-methylhept-5-en-2-yl)phenol, (R)-(-)-Xanthorrhizol, o-Cresol, 5-(1,5-dimethyl-4-hexenyl)-, (-)-, Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)-, SCHEMBL14115131, 5-(1,5-Dimethyl-4-hexenyl)-(-)-O-Cresol, 5-(1,5-Dimethyl-4-hexenyl)-2-methylphenol, EN300-10863817, 5-(1,5-Dimethyl-4-hexenyl)-2-methyl-(-)-Phenol, 5-(1,5-Dimethyl-4-hexenyl)-2-methylphenol, 9CI, 5-[(1R)-1,5-Dimethyl-4-hexenyl]-2-methyl-Phenol, 59684-62-7 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of rhizomes of Curcuma xanthorrhiza (Java turmeric). Xanthorrhizol is found in many foods, some of which are root vegetables, herbs and spices, ginger, and beverages. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-(6-methylhept-5-en-2-yl)phenol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 5.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKWGCEDRLNNZOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | (-)-5-(1,5-Dimethyl-4-hexenyl)-2-methylphenol, (R)-(-)-Xanthorrhizol, (R)-5-(1-5-Dimethyl-4-hexenyl)-2-methylphenol, (R)-5-(1,5-Dimethyl-4-hexenyl)-o-cresol, 5-(1,5-Dimethyl-4-hexenyl)-(-)-O-cresol, 5-(1,5-Dimethyl-4-hexenyl)-2-methyl-(-)-phenol, 5-(1,5-Dimethyl-4-hexenyl)-2-methylphenol, 5-(1,5-Dimethyl-4-hexenyl)-2-methylphenol, 9CI, 5-[(1R)-1,5-Dimethyl-4-hexenyl]-2-methyl-phenol, o-Cresol, 5-(1,5-dimethyl-4-hexenyl)-, (-)-, Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (-)-, Phenol, 5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-, Xanthorrhizol, (R)-5-(1,5-Dimethyl-4-hexenyl)-O-cresol, 5-(1,5-Dimethyl-4-hexenyl)-2-methylphenol, 9ci, 3,7,11,12,15-pentaoxo-25,26,27-Trisnorlanost-8-en-24-Oic acid, 4,4,14-Trimethyl-3,7,11,12,15-pentaoxo-5a-chol-8-en-24-Oic acid, 9ci, 4-{2,6,6,11,15-pentamethyl-5,9,12,16,17-pentaoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}pentanoate, Lucidenate D1 |
| Compound Name | 2-Methyl-5-(6-methylhept-5-en-2-yl)phenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.647008 |
| Inchi | InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3 |
| Smiles | CC1=C(C=C(C=C1)C(C)CCC=C(C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all