Molecule card · MolClass #35738
24841430
24841430: 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
- 24841430Mitochondrial Fusion · compound_name
- MolClass ID
- 35738
- InChIKey
- QFTPTUOKFIIFJH-AATRIKPKSA-N
- Canonical SMILES
- CC(C=CC1(O)(C(C)CC(=O)CC1(C)(C)))OC2OC(CO)C(O)C(O)C2(O)
- Standard InChI
- InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+
- Stored Murcko scaffold
- O(CC=CC1CC[CH]CC1)C2OCCCC2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 5
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 136.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.27
- 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 · 24841430