chempirical

[10]-Shogaol

C21H32O3CAS 36752-54-2332.48 g/mol

Open in Covalent MOL file
OOHO
AlkeneEtherKetonePhenol

Properties

Molecular formula
C21H32O3
Molar mass
332.48 g/mol
Exact mass
332.2351 Da
logP
5.60Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
13

Identifiers

CAS number
36752-54-2
SMILES
CCCCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1
InChIKey
FADFGCOCHHNRHF-UHFFFAOYSA-N
InChI
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3

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

Names and synonyms

2 names
  • 4-Tetradecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-
  • 1-(4-Hydroxy-3-methoxyphenyl)-4-tetradecen-3-one

Work with [10]-Shogaol

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

[8]-Shogaol36700-45-5100 % similar [6]-Shogaol555-66-898 % similar Paradol27113-22-067 % similar [8]-Gingerol23513-08-858 % similar [10]-Gingerol23513-15-758 % similar Tetrahydrocurcumin36062-04-157 % similar Gingerol23513-14-656 % similar Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate61292-90-855 % similar

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

Same formula

(1R,2R,3As,9as)-2,3,3A,4,9,9A-hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[F]indene-2,5-diol101692-02-8 3β-Acetoxy-5α-androstan-17-one1239-31-2 17-Hydroxypregnenolone387-79-1 17β-Hydroxy-2-(hydroxymethylene)-17-methyl-5α-androstan-3-one434-07-1

Elsewhere

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