precursor
Showing entry for 16-F1-phytoprostane
Identification
- PhytoHub ID
- PHUB000201
- Name
- 16-F1-phytoprostane
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 328.449
- Monoisotopic Mass
- 328.22497413
- Chemical Formula
- C18H32O5
- IUPAC Name
- 8-{3,5-dihydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]cyclopentyl}octanoic acid
- InChI Key
- RQXBHXSBLSHCPO-ZHACJKMWSA-N
- InChI Identifier
InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
- SMILES
CCC(O)\C=C\C1C(O)CC(O)C1CCCCCCCC(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.46e-01 g/l
- LogS (ALOGPS)
- -2.98
- LogP (ALOGPS)
- 3.12
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 11
- Polar Surface Area
- 97.99000000000001
- Refractivity
- 90.15209999999999
- Polarizability
- 38.42889985305772
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -1.7418885048695723
- pKa (strongest acidic)
- 4.721786848355061
External Links
- PubChem
- 102026575
Taxonomy
- Family
- Miscellaneous phytochemicals
- Class
- Phytoprostanes
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Beer | Beverages, Alcoholic | Publications | Show | |
linseed oil | Fats and oils | Publications | Show | |
Olive oil | Fats and oils | Publications | Show | |
Rapeseed oil | Fats and oils | Publications | Show | |
soybean oil | Fats and oils | Publications | Show |
Metabolism
No metabolism information available