Erucin
precursor
Showing entry for Erucin
Identification
- PhytoHub ID
- PHUB003021
- Name
- Erucin
- Systematic Name
- 1-Isothiocyanato-4-methylsulfanylbutane
- Synonyms
- 4-(methylthio)Butyl isothiocyanate
- 4-Methylthiobutyl isothiocyanate
- CAS Number
- 4430-36-8
- Average Mass
- 161.28
- Monoisotopic Mass
- 161.033291706
- Chemical Formula
- C6H11NS2
- IUPAC Name
- Not Available
- InChI Key
- IHQDGXUYTSZGOG-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
- SMILES
CSCCCCN=C=S
- 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
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Isothiocyanates
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- N-containing compound metabolites
- Metabolite Class
- Glucosinolate and isothiocyanate metabolites
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Glucoraphanin | N-containing compounds | Glucosinolates | Not Available | Show Food Phytochemical |
Sulforaphane | N-containing compounds | Isothiocyanates | Not Available | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Food Phytochemical | Food Source | Food Source Group | |||
---|---|---|---|---|---|
Glucoraphanin | Broccoli | Vegetables, Cabbages | Publications | Show | |
Glucoraphanin | Broccoli sprouts | Vegetables, Cabbages | Show | ||
Sulforaphane | Broccoli sprouts | Vegetables, Cabbages | Show | ||
Glucoraphanin | Brussel sprouts | Vegetables, Cabbages | Publications | Show | |
Glucoraphanin | Cabbage, red | Vegetables, Cabbages | Publications | Show | |
Glucoraphanin | Cauliflower | Vegetables, Cabbages | Publications | Show | |
Glucoraphanin | Rocket salad | Vegetables, Leaf vegetables | Publications | Show | |
Glucoraphanin | Swede (Rutabaga) | Vegetables, Root vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glucoraphanin | Erucin | human | plasma, urine | Not Available | Not Available | Not Available | Not Available | C6H11NS2 | 161.033291706 | Publications | |||
Sulforaphane | Erucin | human | plasma, urine | Not Available | Not Available | Not Available | Not Available | C6H11NS2 | 161.033291706 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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