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CHEBI:105887 - 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione

ChEBI IDCHEBI:105887
ChEBI Name2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione
Stars
ASCII Name2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione
DefinitionA spiro compound that consists of two units of 1,2,3,6,7,8-hexahydro-5H-cyclopenta[b]naphthalen-5-one fused together at position 2. It is an inhibitor of Hepatitis C virus E2 protein that exhibits inhibitory activity against hepatitis C virus infections.
Last Modified25 June 2021
DownloadsMolfile
FormulaC25H24O2
Net Charge0
Average Mass356.465
Monoisotopic Mass356.17763
SMILESO=C1CCCc2cc3c(cc21)CC1(C3)Cc2cc3c(cc2C1)C(=O)CCC3
InChIInChI=1S/C25H24O2/c26-23-5-1-3-15-7-17-11-25(13-19(17)9-21(15)23)12-18-8-16-4-2-6-24(27)22(16)10-20(18)14-25/h7-10H,1-6,11-14H2
InChIKeyAKPUCJQSLKCIIJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione (CHEBI:105887) has role antiviral agent (CHEBI:22587)
2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione (CHEBI:105887) is a carbopolycyclic compound (CHEBI:35294)
2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione (CHEBI:105887) is a cyclic ketone (CHEBI:3992)
2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione (CHEBI:105887) is a diketone (CHEBI:46640)
2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione (CHEBI:105887) is a spiro compound (CHEBI:33599)
IUPAC Name 
3,3',6,6',7,7',8,8'-octahydro-2,2'-spirobi[cyclopenta[b]naphthalene]-5,5'(1H,1'H)-dione
Synonyms  Source
1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[cyclopenta[b]naphthalene]-5,5'-dioneIUPAC
3,3',5,5',6,6',7,7'-octahydro-1H,1'H-2,2'-spirobi[cyclopenta[b]naphthalene]-8,8'-dioneChEBI
Manual XrefsDatabases
LSM-17248LINCS
339026ChemSpider
WO2013179264Patent
US20160361311Patent