| Identification | Back Directory | [Name]
DAPHNIN | [CAS]
486-55-5 | [Synonyms]
Daphin
Daphnoside
Daphnetin 7-β-D-glucopyranoside
8-Hydrroxycoumarin-7-O-glucoside
7-β-D-Glucopyranosyloxy-8-hydroxy-2H-1-benzopyran-2-one
8-Hydroxy-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranoside
8-Hydroxy-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one
2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-8-hydroxy-
8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one | [Molecular Formula]
C15H16O9 | [MDL Number]
MFCD28053406 | [MOL File]
486-55-5.mol | [Molecular Weight]
340.28 |
| Chemical Properties | Back Directory | [Melting point ]
216-217 °C | [alpha ]
D22 -124° (15 mg in 4 ml MeOH); D22 -115° (abs MeOH) (Wessely, Sturm); D15 -84.2° (MeOH) (Hattori) | [Boiling point ]
670.0±55.0 °C(Predicted) | [density ]
1.679±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C, protect from light | [form ]
Solid | [pka]
6.87±0.20(Predicted) | [color ]
Light brown to khaki | [InChI]
1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1 | [InChIKey]
HOIXTKAYCMNVMY-PVOAASPHSA-N | [SMILES]
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)Oc2c(c3[o][c](ccc3cc2)=O)O |
| Hazard Information | Back Directory | [Uses]
Daphnin is one of the major coumarin bioactive components with antibacterial activity. Daphnin is isolated from the whole herb of Daphne odora (Thunb.), which is a folk medicine in China for the relief of fever[1][2]. | [Definition]
ChEBI: Daphnin is a beta-D-glucoside. It is functionally related to a 7,8-dihydroxycoumarin. | [References]
[1] Zhu J, et al. Investigation the interaction of Daphnin with human serum albumin using optical spectroscopy and molecular modeling methods. Spectrochim Acta A Mol Biomol Spectrosc. 2012 Sep;95:252-7. DOI:10.1016/j.saa.2012.04.099
[2] Shakeel-U-Rehman, et al. Isolation, characterisation and antibacterial activity studies of coumarins from Rhododendron lepidotum Wall. ex G. Don, Ericaceae. Rev. bras. farmacogn. vol.20 no.6 Curitiba Dec. 2010 Epub Nov 12, 2010. |
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