Luteolinidin

C₁₅H₁₁ClO₅CAS 1154-78-5306.70 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₁ClO₅
Molar mass: 306.70 g/mol
Exact mass: 306.0295 Da
logP: 2.99Crippen estimate
Polar surface area: 95.0 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

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

1154-78-5

SMILES

Cl.[O-]c1cc(-c2ccc3c(O)cc(O)cc3[o+]2)ccc1O

InChIKey

MMAGHFOHXGFQRZ-UHFFFAOYSA-N

InChI

InChI=1S/C15H10O5.ClH/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8;/h1-7H,(H3-,16,17,18,19);1H

Weigh it out

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Names and synonyms

6 names

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride (1:1)
Flavylium, 3′,4′,5,7-tetrahydroxy-, chloride
1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride
3′,4′,5,7-Tetrahydroxyflavylium chloride
Luteolinidol chloride
2-(3,4-Dihydroxyphenyl)-1-benzopyrylium-5,7-diol chloride

Work with Luteolinidin

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

Cyanidin chloride528-58-560 % similar Delphinidin chloride528-53-049 % similar Ideain27661-36-548 % similar Chrysanthemin7084-24-448 % similar Malvidin643-84-543 % similar Pelargonidin 3-glucoside18466-51-834 % similar Oenin7228-78-632 % similar 1,3-Dihydroxynaphthalene132-86-531 % similar

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

Same formula

Pelargonidin134-04-3

Elsewhere

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