Ginsenoside F1
Showing entry for Ginsenoside F1
Identification
- PhytoHub ID
- PHUB000955
- Name
- Ginsenoside F1
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 638.883
- Monoisotopic Mass
- 638.439383576
- Chemical Formula
- C36H62O9
- IUPAC Name
- (2S,3R,4R,5S,6R)-2-{[(2R)-2-[(1S,3aR,5R,9aR,11S)-5,7,11-trihydroxy-1,3a,6,6,9a-pentamethyl-dodecahydro-2H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- InChI Key
- QLPKLNOLHUEWSE-RQVRODNYSA-N
- InChI Identifier
InChI=1S/C36H62O9/c1-19(2)10-9-12-36(8,45-31-28(43)27(42)26(41)24(18-37)44-31)35(7)15-14-34(6)21-16-22(38)29-32(3,4)25(40)11-13-33(29,5)20(21)17-23(39)30(34)35/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21?,22-,23+,24-,25?,26-,27-,28-,29?,30?,31+,33-,34-,35+,36-/m1/s1
- SMILES
CC(C)=CCC[[email protected]@](C)(O[[email protected]@H]1O[[email protected]](CO)[[email protected]@H](O)[[email protected]@H](O)[[email protected]]1O)[[email protected]@]1(C)CC[[email protected]@]2(C)C1[[email protected]@H](O)CC1C2C[[email protected]@H](O)C2C(C)(C)C(O)CC[[email protected]]12C
- Structure
Structure for Ginsenoside F1
Calculated Properties
- Solubility (ALOGPS)
- 6.95e-02 g/l
- LogS (ALOGPS)
- -3.96
- LogP (ALOGPS)
- 2.54
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 7
- Rotatable Bond Count
- 7
- Polar Surface Area
- 160.07
- Refractivity
- 171.16469999999995
- Polarizability
- 72.31620143645341
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.841679048634017
- pKa (strongest acidic)
- 12.207004964999417
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
- PubChem
- 162741
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Ginsenoside Re | Terpenoids | Triterpenoids | Saponins | Show Precursor |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Triterpenoids
- Direct Parent Name
- Triterpenoids
- Alternative Parent Names
- ["12-hydroxysteroids", "3-hydroxysteroids", "6-hydroxysteroids", "Acetals", "Alkyl glycosides", "Cyclic alcohols and derivatives", "Fatty acyl glycosides of mono- and disaccharides", "Hydrocarbon derivatives", "Monosaccharides", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["12-hydroxysteroid", "3-hydroxysteroid", "6-hydroxysteroid", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Alkyl glycoside", "Cyclic alcohol", "Fatty acyl", "Fatty acyl glycoside", "Fatty acyl glycoside of mono- or disaccharide", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxysteroid", "Monosaccharide", "O-glycosyl compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Secondary alcohol", "Steroid", "Triterpenoid"]
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|---|
| Ginsenoside Re | Ginsenoside F1 | human rat | faeces, plasma, urine | Not Available | C36H62O9 | 638.439383576 | Publications |