5-(12-Heptadecenyl)-resorcinol
precursor
Showing entry for 5-(12-Heptadecenyl)-resorcinol
Identification
- PhytoHub ID
- PHUB002547
- Name
- 5-(12-Heptadecenyl)-resorcinol
- Systematic Name
- Not Available
- Synonyms
- 5-(heptadec-12-enyl)resorcinol
- CAS Number
- 103462-06-2
- Average Mass
- 346.555
- Monoisotopic Mass
- 346.287180464
- Chemical Formula
- C23H38O2
- IUPAC Name
- Not Available
- InChI Key
- KDUIMXINOLVPCT-WAYWQWQTSA-N
- InChI Identifier
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3/b6-5-
- SMILES
CCCC\C=C/CCCCCCCCCCCc1cc(O)cc(O)c1
- Structure
Structure for 5-(12-Heptadecenyl)-resorcinol
Calculated Properties
- Solubility (ALOGPS)
- 1.64e-04 g/l
- LogS (ALOGPS)
- -6.32
- LogP (ALOGPS)
- 8.74
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 9.359032641624808
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Alkylresorcinols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- Benzenediols
- Direct Parent Name
- Resorcinols
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Organooxygen compounds"]
- External Descriptor Annotations
- ["5-alkenylresorcinol"]
- 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", "Resorcinol"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Mango | Fruit, Tropical fruits | Publications | Show |
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