Molecule card · MolClass #44655
7972588
7972588: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7972588Mitochondrial Fusion · compound_name
- MolClass ID
- 44655
- InChIKey
- ZGYGAINWBYACRH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1C2=C(C)Oc3cc(O)ccc3(C2(=O))
- Standard InChI
- InChI=1S/C17H14O3/c1-10-5-3-4-6-13(10)16-11(2)20-15-9-12(18)7-8-14(15)17(16)19/h3-9,18H,1-2H3
- Stored Murcko scaffold
- O1C=C([CH]c2ccccc12)c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- LOPAC 00426#363
- LOPAC 00433#467
- BIOCHANIN A#2081
- .#2108
- RETUSIN DIMETHYL ETHER#2120
- ISOTECTORIGENIN TRIMETHYL ETHER#2130
- ISOTECTORIGENIN, 7-METHYL ETHER#2185
- .#2194
- 2'-METHOXYFORMONETIN#2195
- GENISTEIN, 8-METHYL#2196
- .#2315
- 7-HYDROXY-2'-METHOXYISOFLAVONE#2316
- 35212-22-7#5966
- 2069258#17063
- 3643-2291#24684
- 103436993#25269
- 24841445#30884
- 7971695#31295
- 49642773#34424
- 17511854#47006
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.804
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7972588