Glucocochlearin
precursor
Showing entry for Glucocochlearin
Identification
- PhytoHub ID
- PHUB000804
- Name
- Glucocochlearin
- Systematic Name
- Not Available
- Synonyms
- (1S)-1-Methylpropylglucosinolate
- Glucojiabutin
- CAS Number
- Not Available
- Average Mass
- 375.41
- Monoisotopic Mass
- 375.065773608
- Chemical Formula
- C11H21NO9S2
- IUPAC Name
- Not Available
- InChI Key
- TUSWQPFNQXCPGB-YKNISDCUSA-M
- InChI Identifier
InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/p-1/b12-10+/t5-,6?,7+,8-,9?,11-/m0/s1
- SMILES
[H][C@](C)(CC)C(\S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O
- Structure
Structure for Glucocochlearin
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 Food Phytochemical
- Family
- N-containing compounds
- Class
- Glucosinolates
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
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