BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

5-Methoxypsoralen

Graphical representations:

5-Methoxypsoralen image

Molecular Formula: C12 H8 O4

Natural Isotopic Abundance Mass: 216.18952

Mono-Isotopic Molecular Masses:

  • C12N14: 216.0422587452
  • C13N14: 228.0825167988
  • C12N15: 216.0422587452
  • C13N15: 228.0825167988

InCHi String:

canonical and isomeric SMILES: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-methoxyfuro[3,2-g]chromen-7-one

PUBCHEM iupac CAS NAME
4-methoxy-7-furo[3,2-g][1]benzopyranone

PubChem Substance (SID):   111677886   153479   4715
PubChem Compound (CID):   2355
KEGG: Compound ID   D07521
CAS Registry IDs:   484-20-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 484-20-8   MMCD cq_01015   EPA DSSTox 33110   HSDB 3466   ChemIDplus 000484208   EINECS 207-604-5   CCRIS 4348   Beilstein Handbook Reference 5-19-06-00004   NCGC NCGC00091582-03   NIST 2826565713

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.