BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol synonyms

magnolol

Wikipedia:

Graphical representations:

2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol image

View large 3D structure

Molecular Formula: C18H18O2

Natural Isotopic Abundance Mass: 266.33432

Mono-Isotopic Molecular Masses:

  • C12N14: 266.130679816
  • C13N14: 284.191066900001
  • C12N15: 266.130679816
  • C13N15: 284.191066900001

InChI String: InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   72300
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   MLO
Miscellaneous Databases and IDs:   MMCD cq_07316

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773