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

CHEBI:105887 ·resolve ·ANTIVIRAL ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:33599
Label unavailable CHEBI:35294
Label unavailable CHEBI:3992
Label unavailable CHEBI:46640

Chemical structure

Computed structure properties
Molecular formula	C25H24O2
Charge	0
Average mass	356.465 Da
Monoisotopic mass	356.17763 Da
Source	ChEBI
InChIKey	AKPUCJQSLKCIIJ-UHFFFAOYSA-N

SMILES

O=C1CCCc2cc3c(cc21)CC1(C3)Cc2cc3c(cc2C1)C(=O)CCC3

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

Also called

3,3',6,6',7,7',8,8'-octahydro-2,2'-spirobi[cyclopenta[b]naphthalene]-5,5'(1H,1'H)-dione (EXACT_SYNONYM)— chebi
1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[cyclopenta[b]naphthalene]-5,5'-dione (EXACT_SYNONYM)— chebi
3,3',5,5',6,6',7,7'-octahydro-1H,1'H-2,2'-spirobi[cyclopenta[b]naphthalene]-8,8'-dione (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antiviral agent CHEBI:22587

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:105887`	2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione	`antibioticmech:chebi-48a2329366`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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