Chamaemeloside
precursor
Showing entry for Chamaemeloside
Identification
- PhytoHub ID
- PHUB002569
- Name
- Chamaemeloside
- Systematic Name
- Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 576.507
- Monoisotopic Mass
- 576.147905582
- Chemical Formula
- C27H28O14
- IUPAC Name
- Not Available
- InChI Key
- WWGLAVUKYJELNJ-XVNLUTQYSA-N
- InChI Identifier
InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19?,23-,24+,25?,26-,27?/m1/s1
- SMILES
CC(O)(CC(O)=O)CC(=O)OCC1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)[C@@H](O)[C@@H]1O
- Structure
Structure for Chamaemeloside
Calculated Properties
- Solubility (ALOGPS)
- 3.98e-01 g/l
- LogS (ALOGPS)
- -3.16
- LogP (ALOGPS)
- 1.04
- 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
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Roman camomile | Herbs and Spices | 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