Identification

PhytoHub ID
PHUB002951
Name
methoxy-indole-3-carboxylic acid
Systematic Name
1-methoxyindole-3-carboxylic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
193.202
Monoisotopic Mass
193.073893218
Chemical Formula
C10H11NO3
IUPAC Name
Not Available
InChI Key
MBWPYHNLTNVDMH-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H11NO3/c1-14-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-5,8H,6H2,1H3,(H,12,13)
SMILES
CON1CC(C(O)=O)C2=C1C=CC=C2
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
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)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
N-containing compound metabolites
Class
Miscellaneous N-containing compound metabolites
Sub-class
Unspecified

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
Kale and daikon radish glucosinolatesN-containing compoundsGlucosinolatesNot AvailableShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Kale and daikon radish glucosinolates methoxy-indole-3-carboxylic acidhumanurineNot AvailableNot AvailableNot AvailableNot AvailableC10H11NO3193.073893218 Detailed Intervention Studies

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back