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CHEBI:2512 - agathisflavone

ChEBI IDCHEBI:2512
ChEBI Nameagathisflavone
Stars
DefinitionA biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-6 and C-8 of the two chromene rings.
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H18O10
Net Charge0
Average Mass538.464
Monoisotopic Mass538.09000
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)c12
InChIInChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-12,31-34,37-38H
InChIKeyBACLASYRJRZXMY-UHFFFAOYSA-N
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.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Applications:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
agathisflavone (CHEBI:2512) has role antineoplastic agent (CHEBI:35610)
agathisflavone (CHEBI:2512) has role antiviral agent (CHEBI:22587)
agathisflavone (CHEBI:2512) has role hepatoprotective agent (CHEBI:62868)
agathisflavone (CHEBI:2512) has role metabolite (CHEBI:25212)
agathisflavone (CHEBI:2512) is a biaryl (CHEBI:64459)
agathisflavone (CHEBI:2512) is a biflavonoid (CHEBI:50128)
agathisflavone (CHEBI:2512) is a hydroxyflavone (CHEBI:24698)
IUPAC Name 
5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-6,8'-bichromene-4,4'-dione
Synonyms  Source
AgathisflavoneKEGG COMPOUND
6,8''-BiapigeninKEGG COMPOUND
5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-(6,8'-bi-4H-1-benzopyran)-4,4'-dioneChemIDplus
Manual XrefsDatabases
C10017KEGG COMPOUND
WO9700679Patent
US2002068757Patent
C00001014KNApSAcK
Registry NumbersSources
Reaxys:1415839Reaxys
CAS:28441-98-7KEGG COMPOUND
CAS:28441-98-7ChemIDplus
Citations