Luteolin 7-O-malonyl-glucoside
precursor
Showing entry for Luteolin 7-O-malonyl-glucoside
Identification
- PhytoHub ID
- PHUB000898
- Name
- Luteolin 7-O-malonyl-glucoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 534.426
- Monoisotopic Mass
- 534.100955388
- Chemical Formula
- C24H22O14
- IUPAC Name
- 3-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid
- InChI Key
- MGYBYJXAXUBTQF-FOBVWLSUSA-N
- InChI Identifier
InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1
- SMILES
O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C(O)=C2)[C@@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 6.41e-01 g/l
- LogS (ALOGPS)
- -2.92
- LogP (ALOGPS)
- 1.26
- Hydrogen Acceptors
- 13
- Hydrogen Donors
- 7
- Rotatable Bond Count
- 8
- Polar Surface Area
- 229.73999999999995
- Refractivity
- 122.53479999999996
- Polarizability
- 49.96303142992957
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.6491030254425296
- pKa (strongest acidic)
- 3.372997481735943
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
- ChEBI
- 6579
- PubChem
- 5281669
- Chemistry Dashboard
- DTXSID80415173
- Phenol-Explorer
- 253
- FooDB (Compounds)
- FDB000139
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Spectra from Phytohub
Food Sources
No food source information available
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