CHEBI:149880 - (4Bs,8aS,10aR)-10a-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one

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ChEBI Name (4Bs,8aS,10aR)-10a-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one
ChEBI ID CHEBI:149880
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30O2
Net Charge 0
Average Mass 302.458
Monoisotopic Mass 302.22458
InChI InChI=1S/C20H30O2/c1-13(2)14-12-20(22)10-7-16-18(3,4)8-6-9-19(16,5)17(20)11-15(14)21/h11-13,16,22H,6-10H2,1-5H3/t16-,19-,20+/m0/s1
InChIKey DWDOXTINEVOYSV-FFZOFVMBSA-N
SMILES C1CC(C)(C)[C@@]2(CC[C@]3(C=C(C(C=C3[C@@]2(C)C1)=O)C(C)C)O)[H]
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
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ChEBI Ontology
Outgoing (4Bs,8aS,10aR)-10a-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one (CHEBI:149880) has role anticoronaviral agent (CHEBI:149553)
(4Bs,8aS,10aR)-10a-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one (CHEBI:149880) is a diterpenoid (CHEBI:23849)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL