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

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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	ChemicalBook:CB5855401, ZINC000005854633

Download	Molfile XML SDF

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Formula

C25H24O2

Net Charge

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.

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

Last Modified

25 June 2021