chempirical

Irigenin

C18H16O8CAS 548-76-5360.32 g/mol

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EtherPhenol

Properties

Molecular formula
C18H16O8
Molar mass
360.32 g/mol
Exact mass
360.0845 Da
Melting point
185 °C
logP
2.60Crippen estimate
Polar surface area
118.6 Ų
H-bond donors / acceptors
3 / 8
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
548-76-5
SMILES
COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC
InChIKey
TUGWPJJTQNLKCL-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3

Weigh it out

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

Names and synonyms

3 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-
  • Isoflavone, 3′,5,7-trihydroxy-4′,5′,6-trimethoxy-
  • 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

Work with Irigenin

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

Tectorigenin548-77-673 % similar Iridin491-74-763 % similar Irisflorentin41743-73-155 % similar Chrysosplenetin603-56-553 % similar Iristectorigenin A 7-glucoside94396-09-553 % similar Casticin479-91-451 % similar Iristectorin A37744-61-951 % similar 5-Hydroxy-4',7-dimethoxyisoflavone34086-51-650 % similar

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

Same formula

Rosmarinic acid20283-92-5 α-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid537-15-5

Elsewhere

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