Glucoraphenin
precursor
Showing entry for Glucoraphenin
Identification
- PhytoHub ID
- PHUB000815
- Name
- Glucoraphenin
- Systematic Name
- 4-Methylsulfinyl-3-butenyl-glucosinolate
- Synonyms
- 4-(Methylsulfinyl)but-3-enylglucosinolate
- 4-Methylsulfinyl-3-butenyl glucosinolate
- 4-Methylsulfinylbut-3-enyl glucosinolate
- CAS Number
- Not Available
- Average Mass
- 435.48
- Monoisotopic Mass
- 435.032759402
- Chemical Formula
- C12H21NO10S3
- IUPAC Name
- Not Available
- InChI Key
- ZFLXCZJBYSPSKU-SVMBXWEMSA-M
- InChI Identifier
InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/p-1/b5-3+,13-8+/t7?,9-,10+,11?,12+,25?/m1/s1
- SMILES
CS(=O)\C=C\CC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O
- Structure
Structure for Glucoraphenin
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 Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cabbage, red | Vegetables, Cabbages | Publications | Show | |
| Daikon radish | Vegetables, Cabbages | Show | ||
| Radish | Vegetables, Root vegetables | Publications | Show | |
| Radish sprouts | Vegetables, Cabbages | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Glucoraphenin | Sulforaphene | human | urine | host metabolism | Not Available | Not Available | Not Available | C6H9NOS2 | 175.012556262 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|