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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione
ChEBI ID CHEBI:105887
ChEBI ASCII Name 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000001855333
Download Molfile XML SDF
more structures >>
Formula C25H24O2
Net Charge 0
Average Mass 356.465
Monoisotopic Mass 356.17763
InChI InChI=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
InChIKey AKPUCJQSLKCIIJ-UHFFFAOYSA-N
SMILES O=C1CCCC2=CC3=C(CC4(C3)CC3=C(C4)C=C4C(=O)CCCC4=C3)C=C12
Roles Classification
Biological Role(s): antiviral agent
A substance that destroys or inhibits replication of viruses.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[cyclopenta[b]naphthalene]-5,5'-dione IUPAC
3,3',5,5',6,6',7,7'-octahydro-1H,1'H-2,2'-spirobi[cyclopenta[b]naphthalene]-8,8'-dione ChEBI
Manual Xrefs Databases
339026 ChemSpider
LSM-17248 LINCS
US20160361311 Patent
WO2013179264 Patent
View more database links
Last Modified
25 June 2021