Myrtenic acid
Showing entry for Myrtenic acid
Identification
- PhytoHub ID
- PHUB001028
- Name
- Myrtenic acid
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 166.22
- Monoisotopic Mass
- 166.099379691
- Chemical Formula
- C10H14O2
- IUPAC Name
- myrtenic acid
- InChI Key
- XPHVDOXZJRTIMV-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)
- SMILES
CC1(C)C2CC1C(=CC2)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.08e+00 g/l
- LogS (ALOGPS)
- -1.90
- LogP (ALOGPS)
- 2.49
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 37.3
- Refractivity
- 46.4395
- Polarizability
- 18.24439621981654
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 4.8419393221697336
External Links
- PubChem
- 86840
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 | Myrtenic acid | rabbit | urine | C10H14O2 | 166.099379691 | Publications |
Myrtenic acid