Molecule card · MolClass #2278
14-METHOXY-4,4-BISNOR-4,8,11,13-PODOCARPATETRAEN-3-ONE
14-METHOXY-4,4-BISNOR-4,8,11,13-PODOCARPATETRAEN-3-ONE: 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
- 14-METHOXY-4,4-BISNOR-4,8,11,13-PODOCARPATETRAEN-3-ONECompound accumulation in C. elegans · compound_name
- MolClass ID
- 2278
- InChIKey
- VSZUGNOVOOTAQU-MRXNPFEDSA-N
- Canonical SMILES
- COc3cccc2c3(CCC1=CC(=O)CCC12(C))
- Standard InChI
- InChI=1S/C16H18O2/c1-16-9-8-12(17)10-11(16)6-7-13-14(16)4-3-5-15(13)18-2/h3-5,10H,6-9H2,1-2H3/t16-/m1/s1
- Stored Murcko scaffold
- c1ccc2c(c1)CCC3=C[CH]CCC23
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 26.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.87
- 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.
Compound accumulation in C. elegans
Dataset #4 · -2.82004933194505