Molecule card · MolClass #1517
Stachydrine hydrochloride
Stachydrine hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Stachydrine hydrochlorideFlucanozole Synergizer · compound_nameHMDB04827Metabolite Likeness · compound_name
- MolClass ID
- 1517
- InChIKey
- CMUNUTVVOOHQPW-LURJTMIESA-N
- Canonical SMILES
- C[N+]1(C)(CCCC1(C(=O)[O-]))
- Standard InChI
- InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
- Stored Murcko scaffold
- C1CC[NH2+]C1
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.
- Betonicine#1404
- [O-]C(=O)C1CC(O)C[N+]1(C)C#155208
- Cl.[O-]C(=O)C1CCC[N+]1(C)C#155268
- C[N+]1(C)CC(O)C(C(=O)[O-])C1#155845
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 143.184 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.618
- 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.
Flucanozole Synergizer
Dataset #3 · Stachydrine hydrochloride
Metabolite Likeness
Dataset #15 · HMDB04827