Identification

PhytoHub ID
PHUB001682
Name
Myristicin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
192.214
Monoisotopic Mass
192.078644246
Chemical Formula
C11H12O3
IUPAC Name
4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole
InChI Key
BNWJOHGLIBDBOB-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
SMILES
COC1=CC(CC=C)=CC2=C1OCO2
Structure

Calculated Properties

Solubility (ALOGPS)
8.28e-01 g/l
LogS (ALOGPS)
-2.37
LogP (ALOGPS)
2.47
Hydrogen Acceptors
3
Hydrogen Donors
0
Rotatable Bond Count
3
Polar Surface Area
27.69
Refractivity
52.5754
Polarizability
20.129519795888733
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.538876091827281
pKa (strongest acidic)
Not Available
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Miscellaneous phytochemicals
Class
Miscellaneous phytochemicals
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Benzodioxoles
Super-class
Organoheterocyclic compounds
Sub-class
Not Available
Direct Parent Name
Benzodioxoles
Alternative Parent Names
["Acetals", "Alkyl aryl ethers", "Anisoles", "Hydrocarbon derivatives", "Oxacyclic compounds"]
External Descriptor Annotations
["Monolignols", "organic molecular entity"]
Substituent Names
["Acetal", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzodioxole", "Ether", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Oxacycle"]

Spectra from Phytohub

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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