myrsinoic acid B
A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a carboxy group at position 5, a 1',5'-dimethyl-1'-hydroxy-4'-hexenyl group at position 2 and a prenyl group at position 7. Isolated from Myrsine seguinii, it exhibits anti-inflammatory activity.
Also appears inslm
Exact Synonyms
2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
Related Synonyms
5-carboxy-2,3-dihydro-2-(1',5'-dimethyl-1'-hydroxy-4'-hexenyl)-7-(3''-methyl-2''-butenyl)benzofuran
class Information
charge
0
formula
C22H30O4
has_dbxref
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C22H30O4/c1-14(2)7-6-10-22(5,25)19-13-17-12-18(21(23)24)11-16(20(17)26-19)9-8-15(3)4/h7-8,11-12,19,25H,6,9-10,13H2,1-5H3,(H,23,24)
inchikey
GZLIPAFSJXROEC-UHFFFAOYSA-N
in_subset
mass
358.47120
monoisotopicmass
358.21441
smiles
CC(C)=CCCC(C)(O)C1Cc2cc(cc(CC=C(C)C)c2O1)C(O)=O