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.

CHEBI:33599 CHEBI:33599
CHEBI:35294 CHEBI:35294
CHEBI:3992 CHEBI:3992
CHEBI:46640 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

Equivalent identifiers for this same structure in other resources.

chemspider:339026
lincs.smallmolecule:LSM-17248
patent:US20160361311
patent:WO2013179264

Activity roles

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

CHEBI:22587 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

Provenance

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