Geranic acid
Showing entry for Geranic acid
Identification
- PhytoHub ID
- PHUB001844
- Name
- Geranic acid
- Systematic Name
- Not Available
- Synonyms
- 3,8-dimethyl-2,6-octadienedioic acid
- CAS Number
- Not Available
- Average Mass
- 168.236
- Monoisotopic Mass
- 168.115029755
- Chemical Formula
- C10H16O2
- IUPAC Name
- geranic acid
- InChI Key
- ZHYZQXUYZJNEHD-VQHVLOKHSA-N
- InChI Identifier
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
- SMILES
CC(C)=CCC\C(C)=C\C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.22e+00 g/l
- LogS (ALOGPS)
- -2.14
- LogP (ALOGPS)
- 2.72
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 4
- Polar Surface Area
- 37.3
- Refractivity
- 51.049499999999995
- Polarizability
- 19.52926424521865
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 5.057430681599353
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Taxonomy of its Precursor(s)
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Geraniol | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Citral (E) | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Precursor | Food Source | Food Source Group | |||
---|---|---|---|---|---|
Geraniol | Grape | Fruit, Berries | Publications | Show | |
Geraniol | Grape wine | Beverages, Alcoholic | Publications | Show | |
Geraniol | Lichee | Fruit, Tropical fruits | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Geraniol | Geranic acid | Not Available | Not Available | Not Available | Not Available | Not Available | C10H16O2 | 168.115029755 | |||||
Citral (E) | Geranic acid | Not Available | Not Available | Not Available | Not Available | Not Available | C10H16O2 | 168.115029755 |
Inter-Individual Variations Metabolism
No inter-individual variations available