Indole-3-carboxylic acid
Showing entry for Indole-3-carboxylic acid
Identification
- PhytoHub ID
- PHUB002950
- Name
- Indole-3-carboxylic acid
- Systematic Name
- Not Available
- Synonyms
- 1H-indole-3-carboxylic acid
- CAS Number
- Not Available
- Average Mass
- 161.16
- Monoisotopic Mass
- 161.047678469
- Chemical Formula
- C9H7NO2
- IUPAC Name
- Not Available
- InChI Key
- KMAKOBLIOCQGJP-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
- SMILES
OC(=O)C1=CNC2=C1C=CC=C2
- Structure
Structure for Indole-3-carboxylic acid
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
External Links
No external links
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 Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Kale and daikon radish glucosinolates | N-containing compounds | Glucosinolates | Not Available | Show Food Phytochemical |
| Broccoli glucosinolates | N-containing compounds | Glucosinolates | Not Available | Show Food Phytochemical |
| Indole-3-carbinol | N-containing compounds | Miscellaneous N-containing compounds | Miscellaneous N-containing compounds | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found