Parietin

C₁₆H₁₂O₅CAS 521-61-9284.27 g/mol

Open in Covalent MOL file

Ether Ketone Phenol

Properties

Molecular formula: C₁₆H₁₂O₅
Molar mass: 284.27 g/mol
Exact mass: 284.0685 Da
Melting point: 207–208 °C
logP: 2.19Crippen estimate
Polar surface area: 83.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Identifiers

CAS number

521-61-9

SMILES

COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O

InChIKey

FFWOKTFYGVYKIR-UHFFFAOYSA-N

InChI

InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

9,10-Anthracenedione, 1,8-dihydroxy-3-methoxy-6-methyl-
Anthraquinone, 1,8-dihydroxy-3-methoxy-6-methyl-
Chrysophanic acid, 6-methoxy-
1,8-Dihydroxy-3-methoxy-6-methyl-9,10-anthracenedione
Emodin 3-methyl ether
Physcion
Rheochrysidin
1,8-Dihydroxy-3-methyl-6-methoxyanthraquinone
6-O-Methylemodin
NSC 251670
1,8-Dihydroxy-3-methoxy-6-methylanthraquinone
1,8-Dihydroxy-6-methoxy-3-methyl anthraquinone
Physcione
1,8-Dihydroxy-3-methoxy-6-methyl-9,10-anthraquinone

Work with Parietin

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

Emodin518-82-165 % similar Chrysophanol481-74-362 % similar Physcion 1-O-β-D-glucoside26296-54-858 % similar 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-454 % similar Mexenone1641-17-451 % similar Dioxybenzone131-53-348 % similar Aurantioobtusin67979-25-345 % similar Rubiadin 1-methyl ether7460-43-744 % similar

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

Same formula

(-)-Maackiain2035-15-6 Calycosin20575-57-9 Glycitein40957-83-3 Genkwanin437-64-9 Obtusifolin477-85-0 Oroxylin A480-11-5 Acacetin480-44-4 Biochanin A491-80-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia