chempirical

Pachypodol

C18H16O7CAS 33708-72-4344.32 g/mol

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EtherPhenol

Properties

Molecular formula
C18H16O7
Molar mass
344.32 g/mol
Exact mass
344.0896 Da
Melting point
171–172 °C
logP
2.90Crippen estimate
Polar surface area
98.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
4

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
33708-72-4
SMILES
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1
InChIKey
KQFUXLQBMQGNRT-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3

Weigh it out

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Names and synonyms

13 names · show all
  • 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-
  • Flavone, 4′,5-dihydroxy-3,3′,7-trimethoxy-
  • 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
  • 3,3′,7-Trimethylquercetin
  • Quercetin-3,7,3′-trimethyl ether
  • CMF 1
  • Quercetin 3,3′,7-trimethyl ether
  • Ro 09-0179
  • Isorhamnetin 3,7-dimethyl ether
  • 5,4′-Dihydroxy-3,7,3′-trimethoxyflavone
  • NSC 168805
  • 3,7,3′-Tri-O-methylquercetin
  • 4′,5-Dihydroxy-3,3′,7-trimethoxyflavone

Work with Pachypodol

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

Retusin (flavonol)1245-15-488 % similar Chrysosplenetin603-56-573 % similar Quercetin 3,4′-dimethyl ether33429-83-367 % similar Rhamnetin90-19-766 % similar Isorhamnetin480-19-364 % similar Bellidifolin2798-25-661 % similar Casticin479-91-461 % similar Rhamnocitrin569-92-660 % similar

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

Same formula

Usnic acid125-46-2 Nevadensin152743-19-6 Eupatilin22368-21-4 Obtusin70588-05-5 (R)-Usnic acid7562-61-0 Eupatorin855-96-9

Elsewhere

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