Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside
precursor
Showing entry for Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside
Identification
- PhytoHub ID
- PHUB000893
- Name
- Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 666.541
- Monoisotopic Mass
- 666.143214126
- Chemical Formula
- C29H30O18
- IUPAC Name
- 3-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid
- InChI Key
- YSXNEFJASLJGTK-YRCFQSNFSA-N
- InChI Identifier
InChI=1S/C29H30O18/c30-9-29(41)10-43-28(26(29)40)47-25-24(39)23(38)19(8-42-21(37)7-20(35)36)46-27(25)44-12-4-15(33)22-16(34)6-17(45-18(22)5-12)11-1-2-13(31)14(32)3-11/h1-6,19,23-28,30-33,38-41H,7-10H2,(H,35,36)/t19-,23-,24+,25-,26+,27-,28+,29-/m1/s1
- SMILES
OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C(O)=C2)[C@@H]1O
- Structure
Structure for Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside
Calculated Properties
- Solubility (ALOGPS)
- 1.04e+00 g/l
- LogS (ALOGPS)
- -2.81
- LogP (ALOGPS)
- 0.51
- Hydrogen Acceptors
- 17
- Hydrogen Donors
- 9
- Rotatable Bond Count
- 11
- Polar Surface Area
- 288.6599999999999
- Refractivity
- 149.20500000000007
- Polarizability
- 63.322079875897295
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.6493998792677895
- pKa (strongest acidic)
- 3.3729970372132363
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
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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