6'-Hydroxy-O-desmethylangolensin
Showing entry for 6'-Hydroxy-O-desmethylangolensin
Identification
- PhytoHub ID
- PHUB001369
- Name
- 6'-Hydroxy-O-desmethylangolensin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 274.272
- Monoisotopic Mass
- 274.084123551
- Chemical Formula
- C15H14O5
- IUPAC Name
- 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
- InChI Key
- IEFUAUZFJJOQMC-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C15H14O5/c1-8(9-2-4-10(16)5-3-9)15(20)14-12(18)6-11(17)7-13(14)19/h2-8,16-19H,1H3
- SMILES
CC(C(=O)C1=C(O)C=C(O)C=C1O)C1=CC=C(O)C=C1
- Structure
Structure for 6'-Hydroxy-O-desmethylangolensin
Calculated Properties
- Solubility (ALOGPS)
- 1.73e-01 g/l
- LogS (ALOGPS)
- -3.20
- LogP (ALOGPS)
- 2.53
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 3
- Polar Surface Area
- 97.99000000000001
- Refractivity
- 73.6808
- Polarizability
- 26.706561605606684
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.6123264061474645
- pKa (strongest acidic)
- 7.933863276329214
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 88662
- PubChem
- 20601635
- Chemistry Dashboard
- DTXSID00609037
- Phenol-Explorer
- 848
- FooDB (Compounds)
- FDB029860
Taxonomy as Metabolite
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Isoflavones
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Genistein | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
| Daidzein | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Genistein | 6'-Hydroxy-O-desmethylangolensin | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C15H14O5 | 274.084123551 | Publications | |||
| Daidzein | 6'-Hydroxy-O-desmethylangolensin | human | plasma | host-gut microbiota co-metabolite | 8h-12h | 50-200 nmol/L | Not Available | C15H14O5 | 274.084123551 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Daidzein | 6'-Hydroxy-O-desmethylangolensin | Microbiota | Effect, clusters | Publications |