Molecule card · MolClass #2320
2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDE
2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDE: 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
- 2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDECompound accumulation in C. elegans · compound_name
- MolClass ID
- 2320
- InChIKey
- SYDNPHFWTKACIZ-ADAARDCZSA-N
- Canonical SMILES
- OCC3OC(Oc2ccc(C(=O)C=Cc1ccccc1)c(O)c2)C(O)C(O)C3(O)
- Standard InChI
- InChI=1S/C21H22O8/c22-11-17-18(25)19(26)20(27)21(29-17)28-13-7-8-14(16(24)10-13)15(23)9-6-12-4-2-1-3-5-12/h1-10,17-22,24-27H,11H2/t17-,18-,19+,20-,21+/m1/s1
- Stored Murcko scaffold
- O(c1ccc([CH]C=Cc2ccccc2)cc1)C3OCCCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 5
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 136.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.159
- 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 · -8.06518430431248