CHEBI:149921 - (4Bs,8aS,10S)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol

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ChEBI Name (4Bs,8aS,10S)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol
ChEBI ID CHEBI:149921
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H32O3
Net Charge 0
Average Mass 332.484
Monoisotopic Mass 332.23514
InChI InChI=1S/C21H32O3/c1-12(2)13-10-14-15(22)11-16-20(3,4)8-7-9-21(16,5)17(14)18(23)19(13)24-6/h10,12,15-16,22-23H,7-9,11H2,1-6H3/t15-,16-,21-/m0/s1
InChIKey HCQUMJYLWCSLLR-QYWGDWMGSA-N
SMILES C1C[C@@]2(C3=C(C=C(C(=C3O)OC)C(C)C)[C@H](C[C@@]2([H])C(C)(C)C1)O)C
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,10S)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol (CHEBI:149921) has role anticoronaviral agent (CHEBI:149553)
(4Bs,8aS,10S)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol (CHEBI:149921) is a diterpenoid (CHEBI:23849)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL