Molecule card · MolClass #1514
Seneciphylline
Seneciphylline: 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
- SeneciphyllineFlucanozole Synergizer · compound_name
- MolClass ID
- 1514
- InChIKey
- FCEVNJIUIMLVML-QPSVUOIXSA-N
- Canonical SMILES
- CC=C1CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1(=O))C23
- Standard InChI
- InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1
- Stored Murcko scaffold
- O1[CH]C[CH]C[CH][CH]OC2CCN3CC=C(C1)C32
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.
- 480-81-9#3285
- 23246-96-0#5176
- 23246-96-0#8701
- 480-81-9#9019
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.841
- 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 · Seneciphylline