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CHEBI:66578 - liphagal

Default Structure
ChEBI IDCHEBI:66578
ChEBI Nameliphagal
Stars
DefinitionA meroterpenoid isolated from the marine sponge Aka coralliphaga and has been shown to exhibit inhibitory activity against phosphatidylinositol-3-OH kinase.
Last Modified22 March 2013
DownloadsMolfile
FormulaC22H28O4
Net Charge0
Average Mass356.462
Monoisotopic Mass356.19876
SMILES[H][C@@]12CC[C@@H](C)c3oc4c(C=O)c(O)c(O)cc4c3[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C22H28O4/c1-12-6-7-16-21(2,3)8-5-9-22(16,4)17-13-10-15(24)18(25)14(11-23)20(13)26-19(12)17/h10-12,16,24-25H,5-9H2,1-4H3/t12-,16+,22+/m1/s1
InChIKeyNVDJGYXDFMEUPO-KGFDFFDMSA-N
Species of MetaboliteComponentSourceComments
Aka coralliphaga (ncbitaxon:178516) - PubMed (16408905)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor  An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
liphagal (CHEBI:66578) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
liphagal (CHEBI:66578) has role metabolite (CHEBI:25212)
liphagal (CHEBI:66578) is a aldehyde (CHEBI:17478)
liphagal (CHEBI:66578) is a cyclic ether (CHEBI:37407)
liphagal (CHEBI:66578) is a meroterpenoid (CHEBI:64419)
liphagal (CHEBI:66578) is a organic heterotetracyclic compound (CHEBI:38163)
liphagal (CHEBI:66578) is a polyphenol (CHEBI:26195)
IUPAC Name 
(4aS,7R,12cS)-10,11-dihydroxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furan-9-carbaldehyde
Registry NumbersSources
Reaxys:10300564Reaxys
Citations