Rubrofusarin
precursor
Showing entry for Rubrofusarin
Identification
- PhytoHub ID
- PHUB001705
- Name
- Rubrofusarin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 272.256
- Monoisotopic Mass
- 272.068473486
- Chemical Formula
- C15H12O5
- IUPAC Name
- 5,6-dihydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
- InChI Key
- FPNKCZKRICBAKG-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3
- SMILES
COC1=CC(O)=C2C(O)=C3C(=O)C=C(C)OC3=CC2=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.46e-01 g/l
- LogS (ALOGPS)
- -3.27
- LogP (ALOGPS)
- 2.90
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 75.99000000000001
- Refractivity
- 73.98240000000001
- Polarizability
- 27.531778043783294
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.7206571568671425
- pKa (strongest acidic)
- 6.824094816742412
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- 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
- Naphthopyrans
- Super-class
- Organoheterocyclic compounds
- Sub-class
- Naphthopyranones
- Direct Parent Name
- Naphthopyranones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Naphthols and derivatives", "Organic oxides", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["Naphthopyrones", "aromatic ether", "benzochromenone", "phenols", "polyketide"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "1-naphthol", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Heteroaromatic compound", "Hydrocarbon derivative", "Naphthalene", "Naphthopyranone", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Oxacycle", "Pyran", "Pyranone", "Vinylogous acid"]
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
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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