EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:149878 - [(2S,4As,10aR)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-2-yl] acetate

Default Structure
ChEBI IDCHEBI:149878
ChEBI Name[(2S,4As,10aR)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-2-yl] acetate
Stars
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILES[H][C@@]12C=Cc3cc(C(C)C)c(OC(C)=O)cc3[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C
InChIInChI=1S/C24H32O4/c1-14(2)18-12-17-8-9-21-23(5,6)22(28-16(4)26)10-11-24(21,7)19(17)13-20(18)27-15(3)25/h8-9,12-14,21-22H,10-11H2,1-7H3/t21-,22-,24+/m0/s1
InChIKeyINFKGIQNEZSZMS-WPFOTENUSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
[(2S,4As,10aR)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-2-yl] acetate (CHEBI:149878) has role anticoronaviral agent (CHEBI:149553)
[(2S,4As,10aR)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-2-yl] acetate (CHEBI:149878) is a diterpenoid (CHEBI:23849)