Cardanol [(15:1)-]
precursor
Showing entry for Cardanol [(15:1)-]
Identification
- PhytoHub ID
- PHUB000582
- Name
- Cardanol [(15:1)-]
- Systematic Name
- Not Available
- Synonyms
- Anacardol
- Ginkgol
- CAS Number
- Not Available
- Average Mass
- 302.502
- Monoisotopic Mass
- 302.260965715
- Chemical Formula
- C21H34O
- IUPAC Name
- 3-[(8Z)-pentadec-8-en-1-yl]phenol
- InChI Key
- YLKVIMNNMLKUGJ-FPLPWBNLSA-N
- InChI Identifier
InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7-
- SMILES
CCCCCC\C=C/CCCCCCCC1=CC(O)=CC=C1
- Structure
Structure for Cardanol [(15:1)-]
Calculated Properties
- Solubility (ALOGPS)
- 3.38e-05 g/l
- LogS (ALOGPS)
- -6.95
- LogP (ALOGPS)
- 8.76
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 13
- Polar Surface Area
- 20.23
- Refractivity
- 98.61070000000001
- Polarizability
- 39.791120437521315
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.478421324745947
- pKa (strongest acidic)
- 10.105147601678176
- Number of Rings
- 1
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 146
- PubChem
- 5281854
- Chemistry Dashboard
- DTXSID30872878
- KNApSAcK
- C00002643
- PeakForestCompound
- 000448
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Miscellaneous phytochemicals
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- 1-hydroxy-4-unsubstituted benzenoids
- Direct Parent Name
- 1-hydroxy-4-unsubstituted benzenoids
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Organooxygen compounds"]
- External Descriptor Annotations
- ["phenols"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| JP004845 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available