Basic information
- CAS
52589-13-6- Standard SMILES
COc1ccc(-c2cc(=O)c3c(O)c(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)c(OC)cc3o2)cc1- InChIKey
OXTGLFRGBDFBHI-FFIOIDJNSA-N- Molecular formula
- C29H34O14
- Average molar mass
- 606.6 g/mol
- Monoisotopic mass
- 606.19485575
Overview
Embinin is a C-glycosyl compound and a member of flavonoids.
Names & identifiers
- Preferred name
- 1,5-Anhydro-2-O-(6-deoxyhexopyranosyl)-1-(5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)hexitol
- IUPAC
- 6-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- Embinin
- Molecular formula
- C29H34O14
- Molecular weight
- 606.58
Names & synonyms
DTXSID509670181,5-Anhydro-2-O-(6-deoxyhexopyranosyl)-1-(5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)hexitol1,5-Anhydro-2-O-(6-deoxyhexopyranosyl)-1-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]hexitolRefChem:1053407DTXCID801394628Embinin52589-13-66-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 6-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-SCHEMBL27824253CHEBI:187135(1xi)-1,5-Anhydro-2-O-(6-deoxy-D-mannopyranosyl)-1-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol
Show more names
4H-1-Benzopyran-4-one, 6-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 986
Physicochemical properties
- Melting point
- 180 · 180-181 °C
- Boiling point
- 833.7 · 833.7±65.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 5.69 · 5.69±0.40(Predicted)
Chemistry & industry
Suppliers9 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海宾穗生物科技有限公司18301908279 · [email protected]
Additional notes
DefinitionChEBI: Embinin is a C-glycosyl compound and a member of flavonoids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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