Apigenin 7-O-glucoside
precursor
Showing entry for Apigenin 7-O-glucoside
Identification
- PhytoHub ID
- PHUB000865
- Name
- Apigenin 7-O-glucoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 432.381
- Monoisotopic Mass
- 432.105646844
- Chemical Formula
- C21H20O10
- IUPAC Name
- 5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
- InChI Key
- KMOUJOKENFFTPU-QNDFHXLGSA-N
- InChI Identifier
InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
- SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
- Structure
Structure for Apigenin 7-O-glucoside
Calculated Properties
- Solubility (ALOGPS)
- 9.71e-01 g/l
- LogS (ALOGPS)
- -2.65
- LogP (ALOGPS)
- 0.68
- Hydrogen Acceptors
- 10
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 4
- Polar Surface Area
- 166.14
- Refractivity
- 105.0583
- Polarizability
- 42.1006990104198
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.981092343758667
- pKa (strongest acidic)
- 7.297639893816179
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 5280704
- ChEBI
- 16778
- MetaboLights
- MTBLC16778
- Phenol-Explorer
- 246
- FooDB (Compounds)
- FDB003911
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found