precursor
Showing entry for Carvacrol
Identification
- PhytoHub ID
- PHUB000031
- Name
- Carvacrol
- Synonyms
- 2-p-cymenol
- Isothymol
- CAS Number
- Not Available
- Average Mass
- 150.221
- Monoisotopic Mass
- 150.104465071
- Chemical Formula
- C10H14O
- IUPAC Name
- carvacrol
- InChI Key
- RECUKUPTGUEGMW-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
- SMILES
CC(C)C1=CC(O)=C(C)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.70e-01 g/l
- LogS (ALOGPS)
- -2.50
- LogP (ALOGPS)
- 3.20
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 20.23
- Refractivity
- 47.270900000000005
- Polarizability
- 17.87955129915772
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.466114337746284
- pKa (strongest acidic)
- 10.422968132468661
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Common oregano | Herbs and Spices | Publications | Show | |
Common thyme | Herbs and Spices | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Carvacrol | 2,3-Dihydroxy-p-cymene | Not Available | Not Available | C10H14O2 | 166.099379691 | |||
Carvacrol | 2-(-3-Hydroxy-4-methylphenyl)propan-2-ol | Not Available | Not Available | C10H14O2 | 166.099379691 | |||
Carvacrol | 2-(-3-Hydroxy-4-methylphenyl)propan-1-ol | Not Available | Not Available | C10H14O2 | 166.099379691 | |||
Carvacrol | 2-Hydroxymethyl-5-(1-methylethyl)phenol | Not Available | Not Available | C10H14O2 | 166.099379691 | |||
Carvacrol | 2-(3-Hydroxy-4-methylphenyl)propionic acid | Not Available | Not Available | C10H12O3 | 180.078644246 | |||
Carvacrol | 2-Hydroxymethyl-4-(1-methylethyl)benzoic acid | Not Available | Not Available | C10H12O3 | 180.078644246 | |||
Carvacrol | 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol | Not Available | Not Available | C10H10O5 | 210.052823422 |