Parietin

C16H12O5CAS 521-61-9284.27 g/mol

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EtherKetonePhenol

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 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-beta-D-glucoside26296-54-858 % similar 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-454 % similar Mexenone1641-17-451 % similar Dioxybenzone131-53-348 % similar Brevifolin90-24-447 % similar Aurantioobtusin67979-25-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-Maackiain19908-48-6 (-)-Maackiain2035-15-6 Calycosin20575-57-9 Glycitein40957-83-3 Genkwanin437-64-9 Isoprunetin4569-98-6 Obtusifolin477-85-0 Oroxylin A480-11-5

Elsewhere

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