EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82558 - (1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol

ChEBI IDCHEBI:82558
ChEBI Name(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
Stars
DownloadsMolfile
FormulaC20H18O3
Net Charge0
Average Mass306.361
Monoisotopic Mass306.12559
SMILESCc1c2ccccc2c(C)c2c3c(ccc12)[C@H](O)[C@@H](O)[C@H]1O[C@@H]31
InChIInChI=1S/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/m0/s1
InChIKeySZIWZGXOWBSPTO-ZGXWSNOMSA-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)
(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol (CHEBI:82558) is a phenanthrol (CHEBI:25962)
Manual XrefsDatabases
C19559KEGG COMPOUND
HMDB0062223HMDB
Registry NumbersSources
CAS:86941-58-4KEGG COMPOUND