Myristicin
precursor
Showing entry for Myristicin
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
Structure for Myristicin
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
External Links
No external links
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