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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [(2S,4As,10aR)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-2-yl] acetate
ChEBI ID CHEBI:149878
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H32O4
Net Charge 0
Average Mass 384.516
Monoisotopic Mass 384.23006
InChI InChI=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
InChIKey INFKGIQNEZSZMS-WPFOTENUSA-N
SMILES C1[C@@H](C(C)([C@]2([H])C=CC3=C([C@@]2(C)C1)C=C(OC(=O)C)C(C(C)C)=C3)C)OC(C)=O
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via [(2S,4As,10aR)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-2-yl] acetate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(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)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL