Chrysin-7-O-beta-D-glucoronide

C₂₁H₁₈O₁₀CAS 35775-49-6430.37 g/mol

Open in Covalent MOL file

Acetal Alcohol Carboxylic acid Ether Phenol

Properties

Molecular formula: C₂₁H₁₈O₁₀
Molar mass: 430.37 g/mol
Exact mass: 430.0900 Da
logP: 0.44Crippen estimate
Polar surface area: 166.9 Å²
H-bond donors / acceptors: 5 / 9
Rotatable bonds: 4
Stereocentres: S, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

35775-49-6

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O

InChIKey

IDRSJGHHZXBATQ-ZFORQUDYSA-N

InChI

InChI=1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1

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Names and synonyms

1 names

Chrysin-7-O-glucuronide

Work with Chrysin-7-O-beta-D-glucoronide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Apigenin 7-O-glucuronide29741-09-187 % similar Luteolin 7-O-glucuronide29741-10-482 % similar Baicalin21967-41-972 % similar Oroxylin A 7-O-glucuronide36948-76-266 % similar Oroxindin51059-44-066 % similar Scutellarin27740-01-862 % similar Apigetrin578-74-561 % similar Cynaroside5373-11-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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