chempirical

Hinokiflavone

C30H18O10CAS 19202-36-9538.46 g/mol

Open in Covalent MOL file
OOHOOOHOHOOOHHO
EtherPhenol

Properties

Molecular formula
C30H18O10
Molar mass
538.46 g/mol
Exact mass
538.0900 Da
Melting point
above 330 °C
logP
5.55Crippen estimate
Polar surface area
170.8 Ų
H-bond donors / acceptors
5 / 10
Rotatable bonds
4

Identifiers

CAS number
19202-36-9
SMILES
O=c1cc(-c2ccc(Oc3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)cc2)oc2cc(O)cc(O)c12
InChIKey
WTDHMFBJQJSTMH-UHFFFAOYSA-N
InChI
InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H

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Names and synonyms

3 names
  • 4H-1-Benzopyran-4-one, 6-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • Flavone, 4′,5,5′′,7,7′′-pentahydroxy-4′′′,6-oxydi-
  • 6-[4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Work with Hinokiflavone

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

Apigenin520-36-571 % similar Hispidulin1447-88-769 % similar Acacetin480-44-465 % similar Scutellarein529-53-365 % similar Pectolinarigenin520-12-763 % similar Luteolin491-70-362 % similar Chrysin480-40-060 % similar Genkwanin437-64-959 % similar

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

Same formula

Amentoflavone1617-53-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook