Luteolin 7-O-diglucuronide
precursor
Showing entry for Luteolin 7-O-diglucuronide
Identification
- PhytoHub ID
- PHUB000895
- Name
- Luteolin 7-O-diglucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 638.487
- Monoisotopic Mass
- 638.111913997
- Chemical Formula
- C27H26O18
- IUPAC Name
- (2S,3S,4S,5R,6S)-6-[(2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- PEFNSGRTCBGNAN-QNDFHXLGSA-N
- InChI Identifier
InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-26-20(36)17(33)19(35)23(44-26)25(40)45-27-21(37)16(32)18(34)22(43-27)24(38)39/h1-6,16-23,26-30,32-37H,(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27-/m0/s1
- SMILES
O[C@@H]1[C@@H](O)[C@H](OC(=O)[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]([C@H]1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.26e+00 g/l
- LogS (ALOGPS)
- -2.18
- LogP (ALOGPS)
- 0.47
- Hydrogen Acceptors
- 17
- Hydrogen Donors
- 10
- Rotatable Bond Count
- 7
- Polar Surface Area
- 299.65999999999997
- Refractivity
- 139.20520000000002
- Polarizability
- 57.57982848854232
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.7322216407176225
- pKa (strongest acidic)
- 2.9960583712956907
- 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