EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175023 - Gancaonin U

ChEBI IDCHEBI:175023
ChEBI NameGancaonin U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O4
Net Charge0
Average Mass380.484
Monoisotopic Mass380.19876
SMILESCC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)-c1cc(O)c(O)cc1CC2
InChIInChI=1S/C24H28O4/c1-13(2)5-8-17-16-10-7-15-11-20(25)21(26)12-19(15)22(16)24(28)18(23(17)27)9-6-14(3)4/h5-6,11-12,25-28H,7-10H2,1-4H3
InChIKeyYJJXCOSDPIJFJR-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Gancaonin U (CHEBI:175023) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
6,8-bis(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol
Manual XrefsDatabases
421879ChemSpider
HMDB0037587HMDB
Registry NumbersSources
CAS:134958-56-8ChemIDplus