(-)-Maackiain

C₁₆H₁₂O₅CAS 19908-48-6284.27 g/mol

Open in Covalent MOL file

Acetal Ether Phenol

Properties

Molecular formula: C₁₆H₁₂O₅
Molar mass: 284.27 g/mol
Exact mass: 284.0685 Da
logP: 2.73Crippen estimate
Polar surface area: 57.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 0
Stereocentres: R, Rin SMILES atom order

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

19908-48-6

SMILES

C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5

InChIKey

HUKSJTUUSUGIDC-ZBEGNZNMSA-N

InChI

InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1

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Work with (-)-Maackiain

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-Maackiain2035-15-6

Similar compounds

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

Same formula

Calycosin20575-57-9 Glycitein40957-83-3 Genkwanin437-64-9 Obtusifolin477-85-0 Oroxylin A480-11-5 Acacetin480-44-4 Biochanin A491-80-5

Elsewhere

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