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callophycoic acid F

Go to external page http://purl.obolibrary.org/obo/CHEBI_65562

An organic heterobicyclic compound that is 2,5-dihydro-1-benzoxepine-7-carboxylic acid substituted by a (3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl group at position 3. It is isolated from the Fijian red alga Callophycus serratus and exhibits antibacterial, antimalarial and anticancer activities.

Term info

Label

callophycoic acid F

Synonyms
  • 3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5-dihydro-1-benzoxepine-7-carboxylic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5-dihydro-1-benzoxepine-7-carboxylic acid [ IUPAC ]

charge

0

formula

C27H36O3

has obo namespace

chebi_ontology

id

CHEBI:65562

inchi

InChI=1S/C27H36O3/c1-20(2)8-5-9-21(3)10-6-11-22(4)12-7-13-23-14-15-24-18-25(27(28)29)16-17-26(24)30-19-23/h8,10,12,14,16-18H,5-7,9,11,13,15,19H2,1-4H3,(H,28,29)/b21-10+,22-12+

inchikey

URXNJUNXUWLMAY-KZVLYIKRSA-N

mass

408.57290

monoisotopicmass

408.26645

smiles

CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1=CCc2cc(ccc2OC1)C(O)=O