Genistein 4',7-diglucuronide
Showing entry for Genistein 4',7-diglucuronide
Identification
- PhytoHub ID
- PHUB002125
- Name
- Genistein 4',7-diglucuronide
- Systematic Name
- (2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 622.488
- Monoisotopic Mass
- 622.116999377
- Chemical Formula
- C27H26O17
- IUPAC Name
- Not Available
- InChI Key
- DFJSPRNCKDBZIJ-MWBUVXCNSA-N
- InChI Identifier
InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1
- SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O
- Structure
Structure for Genistein 4',7-diglucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.83e+00 g/l
- LogS (ALOGPS)
- -2.53
- LogP (ALOGPS)
- 0.20
- 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
- (Poly)phenol metabolites
- Class
- Flavonoid metabolites
- Sub-class
- Isoflavones (parent, host and microbial metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Genistin | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
| Genistein | Polyphenols | Flavonoids | Isoflavones | 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 | |||
|---|---|---|---|---|---|
| Genistein | Chickpea | Pulses and beans | Show | ||
| Genistein | Red clover | Pulses and beans | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Genistin | Genistein 4',7-diglucuronide | human | plasma | host metabolism | Not Available | Not Available | Not Available | C27H26O17 | 622.116999377 | Publications | |||
| Genistein | Genistein 4',7-diglucuronide | human | plasma | host metabolism | 5h-8h | 50-200 nmol/L | Not Available | C27H26O17 | 622.116999377 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|