Ginkgetin

C₃₂H₂₂O₁₀CAS 481-46-9566.52 g/mol

Open in Covalent MOL file

Ether Phenol

Properties

Molecular formula: C₃₂H₂₂O₁₀
Molar mass: 566.52 g/mol
Exact mass: 566.1213 Da
Melting point: 297 °C
logP: 5.74Crippen estimate
Polar surface area: 159.8 Å²
H-bond donors / acceptors: 4 / 10
Rotatable bonds: 5

Identifiers

CAS number

481-46-9

SMILES

COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1

InChIKey

AIFCFBUSLAEIBR-UHFFFAOYSA-N

InChI

InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3

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Names and synonyms

6 names

Amentoflavone 7′′,4′′′-dimethyl ether
7,4′-Dimethylamentoflavone
4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-
3′′′,8-Biflavone, 4′,5,5′′,7-tetrahydroxy-4′′′,7′′-dimethoxy-
5,7-Dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Ginkgotin

Work with Ginkgetin

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

Sciadopitysin521-34-690 % similar Bilobetin521-32-487 % similar Genkwanin437-64-972 % similar Amentoflavone1617-53-467 % similar Luteolin 7-methyl ether20243-59-861 % similar Techtochrysin520-28-559 % similar Diosmetin520-34-359 % similar Acacetin480-44-458 % similar

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

Same formula

Isoginkgetin548-19-6

Elsewhere

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