(+)-Pinoresinol
precursor
Showing entry for (+)-Pinoresinol
Identification
- PhytoHub ID
- PHUB001389
- Name
- (+)-Pinoresinol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 358.39
- Monoisotopic Mass
- 358.141638428
- Chemical Formula
- C20H22O6
- IUPAC Name
- 4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol
- InChI Key
- HGXBRUKMWQGOIE-NSMLZSOPSA-N
- InChI Identifier
InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
- SMILES
[H][C@@]12CO[C@@H](C3=CC=C(O)C(OC)=C3)[C@]1([H])CO[C@H]2C1=CC(OC)=C(O)C=C1
- Structure
Structure for (+)-Pinoresinol
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 4
- Polar Surface Area
- 77.38000000000001
- Refractivity
- 95.10020000000003
- Polarizability
- 38.046904078057665
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.803528853893933
- pKa (strongest acidic)
- 9.60971679801834
- Number of Rings
- 4
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 67245
- PubChem
- 12309636
- MetaboLights
- MTBLC67245
- Phenol-Explorer
- 597
- KNApSAcK
- C00007190
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Lignans
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Apricot | Fruit, Drupes | Publications | Show | |
| Broccoli | Vegetables, Cabbages | Publications | Show | |
| Brussel sprouts | Vegetables, Cabbages | Publications | Show | |
| Common cabbage | Vegetables, Cabbages | Publications | Show | |
| Flaxseed | Oilseed crops | Publications | Show | |
| Garlic | Vegetables, Onion-family | Publications | Show | |
| Grapefruit | Fruit, Citrus | Publications | Show | |
| Kale | Vegetables, Cabbages | Publications | Show | |
| Multigrain bread | Cereals and cereal products | Publications | Show | |
| Nectarine | Fruit, Drupes | Publications | Show | |
| Olive oil | Fats and oils | Publications | Show | |
| Peach | Fruit, Drupes | Publications | Show | |
| Pear | Fruit, Pomes | Publications | Show | |
| Rye bread | Cereals and cereal products | Publications | Show | |
| Sesame | Oilseed crops | Publications | Show | |
| Strawberry | Fruit, Berries | Publications | Show | |
| Sunflower | Oilseed crops | Publications | Show | |
| Sweet orange | Fruit, Citrus | Publications | Show | |
| Tomato | Vegetables, Fruit vegetables | Publications | Show | |
| Whole wheat bread | Cereals and cereal products | Publications | Show |
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