precursor

Showing entry for Chavicol

Identification

PhytoHub ID
PHUB001890
Name
Chavicol
Systematic Name
Not Available
Synonyms
  • 4-(2-Propenyl)phenol
  • 4-Allylphenol
  • p-Hydroxyallylbenzene
CAS Number
501-92-8
Average Mass
134.178
Monoisotopic Mass
134.073164942
Chemical Formula
C9H10O
IUPAC Name
4-(prop-2-en-1-yl)phenol
InChI Key
RGIBXDHONMXTLI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
SMILES
OC1=CC=C(CC=C)C=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.46e+00 g/l
LogS (ALOGPS)
-1.74
LogP (ALOGPS)
2.46
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
20.23
Refractivity
42.3262
Polarizability
14.948237451915567
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.958425173561263
pKa (strongest acidic)
9.50147367907245
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Phenolic acids
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Phenols
Super-class
Benzenoids
Sub-class
1-hydroxy-2-unsubstituted benzenoids
Direct Parent Name
1-hydroxy-2-unsubstituted benzenoids
Alternative Parent Names
["Benzene and substituted derivatives", "Hydrocarbon derivatives", "Organooxygen compounds"]
External Descriptor Annotations
["Monolignols", "a phenol", "phenols", "phenylpropanoid"]
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound"]

Spectra from Online Resources

No spectra information available

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

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