chempirical

(+)-Pinocembrin

C15H12O4CAS 480-39-7256.26 g/mol

Open in Covalent MOL file
OOHOOH
EtherKetonePhenol

Properties

Molecular formula
C15H12O4
Molar mass
256.26 g/mol
Exact mass
256.0736 Da
Melting point
202 °C
logP
2.80Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
480-39-7
SMILES
O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21
InChIKey
URFCJEUYXNAHFI-ZDUSSCGKSA-N
InChI
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2S)-
  • Pinocembrin
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (S)-
  • (2S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one
  • Galangin flavanone
  • Dihydrochrysin
  • 5,7-Dihydroxyflavanone
  • NSC 279005
  • (+)-Pinocoembrin
  • (2S)-Pinocembrin
  • (2S)-5,7-Dihydroxy-2-phenyl-2,3-dihydrochromen-4-one

Work with (+)-Pinocembrin

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

Naringenin480-41-183 % similar (+-)-Naringenin67604-48-283 % similar (+-)-Naringenin93602-28-983 % similar Alpinetin36052-37-676 % similar Eriodictyol552-58-976 % similar Isosakuranetin480-43-373 % similar (-)-Pinostrobin480-37-571 % similar Hesperetin520-33-268 % similar

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

Same formula

2-(4-Methoxybenzoyl)benzoic acid1151-15-1 Monobenzyl phthalate2528-16-7 Liquiritigenin578-86-9 Isoliquiritigenin961-29-5

Elsewhere

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