Myrtenol
Showing entry for Myrtenol
Identification
- PhytoHub ID
- PHUB001027
- Name
- Myrtenol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 152.237
- Monoisotopic Mass
- 152.120115135
- Chemical Formula
- C10H16O
- IUPAC Name
- myrtenol
- InChI Key
- RXBQNMWIQKOSCS-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
- SMILES
CC1(C)C2CC1C(CO)=CC2
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.67e+00 g/l
- LogS (ALOGPS)
- -1.96
- LogP (ALOGPS)
- 2.71
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 20.23
- Refractivity
- 46.497
- Polarizability
- 18.106480804141814
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.8813307803677821
- pKa (strongest acidic)
- 17.097551942460488
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Pinene-alpha | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Pinene-alpha | Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Pinene-alpha | Nutmeg | Herbs and Spices | Publications | Show | |
| Pinene-alpha | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Pinene-alpha | Pepper | Herbs and Spices | Publications | Show | |
| Pinene-alpha | Sweet bay | Herbs and Spices | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Pinene-alpha | Myrtenol | rabbit | urine | C10H16O | 152.120115135 | Publications |
Myrtenol