Carveol glucuronide
Showing entry for Carveol glucuronide
Identification
- PhytoHub ID
- PHUB000971
- Name
- Carveol glucuronide
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 328.361
- Monoisotopic Mass
- 328.152203113
- Chemical Formula
- C16H24O7
- IUPAC Name
- 3,4,5-trihydroxy-6-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]oxy}oxane-2-carboxylic acid
- InChI Key
- BVXOWZPSSZQRID-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H24O7/c1-7(2)9-5-4-8(3)10(6-9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h4,9-14,16-19H,1,5-6H2,2-3H3,(H,20,21)
- SMILES
CC(=C)C1CC=C(C)C(C1)OC1OC(C(O)C(O)C1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.70e+01 g/l
- LogS (ALOGPS)
- -1.29
- LogP (ALOGPS)
- 0.31
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 4
- Polar Surface Area
- 116.45
- Refractivity
- 80.2765
- Polarizability
- 33.22613598778844
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.68650735368272
- pKa (strongest acidic)
- 3.5943515171523694
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Carvone | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Carvone | Caraway | Herbs and Spices | Publications | Show | |
| Carvone | Dill | Herbs and Spices | Publications | Show | |
| Carvone | Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Carvone | Carveol glucuronide | human | urine | C16H24O7 | 328.152203113 | Publications |
Carveol glucuronide