Obtusifolin

C₁₆H₁₂O₅CAS 477-85-0284.27 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: 242–243 °C
logP: 2.19Crippen estimate
Polar surface area: 83.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

477-85-0

SMILES

COc1c(O)c(C)cc2c1C(=O)c1c(O)cccc1C2=O

InChIKey

NYRXUBDGDSRBGB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

9,10-Anthracenedione, 2,8-dihydroxy-1-methoxy-3-methyl-
Anthraquinone, 2,8-dihydroxy-1-methoxy-3-methyl-
2,8-Dihydroxy-1-methoxy-3-methyl-9,10-anthracenedione
Obtusifolin (anthraquinone)
Obtusifoline

Work with Obtusifolin

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

Aurantioobtusin67979-25-372 % similar Chrysoobtusin70588-06-667 % similar Obtusin70588-05-565 % similar Chrysophanol481-74-356 % similar Rubiadin 1-methyl ether7460-43-755 % similar 1,8-Dihydroxyanthraquinone117-10-255 % similar 1-Hydroxyanthraquinone129-43-149 % similar Anthrarufin117-12-449 % 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 Oroxylin A480-11-5 Acacetin480-44-4 Biochanin A491-80-5

Elsewhere

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