Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-23 03:58:43 UTC |
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Update Date | 2021-09-23 03:58:43 UTC |
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HMDB ID | HMDB0301957 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Kaempferol 3-alpha-D-arabinopyranoside |
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Description | Kaempferol 3-alpha-d-arabinopyranoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-alpha-d-arabinopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-alpha-d-arabinopyranoside can be found in avocado, which makes kaempferol 3-alpha-d-arabinopyranoside a potential biomarker for the consumption of this food product. |
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Structure | [H][C@@]1(O)CO[C@@]([H])(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@]([H])(O)[C@@]1([H])O InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17+,20+/m1/s1 |
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Synonyms | Value | Source |
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Kaempferol 3-a-D-arabinopyranoside | Generator | Kaempferol 3-α-D-arabinopyranoside | Generator |
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Chemical Formula | C20H18O10 |
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Average Molecular Weight | 418.354 |
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Monoisotopic Molecular Weight | 418.08999678 |
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IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-one |
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Traditional Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(O)CO[C@@]([H])(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@]([H])(O)[C@@]1([H])O |
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InChI Identifier | InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17+,20+/m1/s1 |
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InChI Key | RNVUDWOQYYWXBJ-ZMQFRBSTSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Flavonoid glycosides |
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Direct Parent | Flavonoid-3-O-glycosides |
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Alternative Parents | |
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Substituents | - Flavonoid-3-o-glycoside
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Flavone
- Hydroxyflavonoid
- Chromone
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Benzenoid
- Pyran
- Oxane
- Monocyclic benzene moiety
- Monosaccharide
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Oxacycle
- Polyol
- Acetal
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Alcohol
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesNot Available | Show more...
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