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Structure via PubChem · Public domain (PubChem)
monoxerutin
Sign in to saveAlso known as Monoxerutine, O-(beta-Hydroxyethyl)rutin, beta-Hydroxyethylrutosid, Monoxerutina, Mono-7-hydroxyethylrutoside, Monoxerutinum
Monoxerutin is a flavonol, a type of flavonoid. It is more accurately a hydroxyethylrutoside.
Chemical data
- Formula
- C29H34O17
- Molecular weight
- 654.6 g/mol
- IUPAC name
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
- InChIKey
- MBHXKZDTQCSVPM-BDAFLREQSA-N
- XLogP
- -1.6
- Polar surface area
- 275 Ų
- H-bond donors
- 10
- H-bond acceptors
- 17
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Small molecule
- Indications
- cardiovascular disease
via ChEMBL · EBI
Wikidata facts
- Mass
- 654.18
Show 3 more facts
- chemical formula
- C₂₉H₃₄O₁₇
- canonical SMILES
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
- isomeric SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
1 sectionsContents
- References
Monoxerutin is a flavonol, a type of flavonoid. It is more accurately a hydroxyethylrutoside.
== References ==
Excerpted from Wikipedia’s “monoxerutin” article, available under the CC BY-SA 4.0 licence.