chempirical

Amentoflavone

C30H18O10CAS 1617-53-4538.46 g/mol

Open in Covalent MOL file
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Phenol

Properties

Molecular formula
C30H18O10
Molar mass
538.46 g/mol
Exact mass
538.0900 Da
Melting point
245–250 °C (decomposes)
logP
5.13Crippen estimate
Polar surface area
181.8 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
3

Identifiers

CAS number
1617-53-4
SMILES
O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12
InChIKey
YUSWMAULDXZHPY-UHFFFAOYSA-N
InChI
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H

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Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 3′′′,8-Biflavone, 4′,4′′′,5,5′′,7,7′′-hexahydroxy-
  • Ginkgetin, didemethyl-
  • 8-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Tridemethylsciadopitysin
  • I3′,II8-Biapigenin
  • Amenthoflavone
  • NSC 295677

Work with Amentoflavone

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

Bilobetin521-32-478 % similar Apigenin520-36-571 % similar Isoginkgetin548-19-669 % similar Ginkgetin481-46-967 % similar Luteolin491-70-365 % similar Chrysin480-40-060 % similar Sciadopitysin521-34-658 % similar Chrysoeriol491-71-457 % similar

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

Same formula

Hinokiflavone19202-36-9

Elsewhere

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