Molecule card · MolClass #2399

VINPOCETINE

VINPOCETINE: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: VINPOCETINECompound accumulation in C. elegans · compound_name
MolClass ID: 2399
InChIKey: DDNCQMVWWZOMLN-IFMALSPDSA-N
Canonical SMILES: CCOC(=O)C2=CC5(CC)(CCCN4CCc3c1ccccc1n2c3C45)
Standard InChI: InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22-/m1/s1
Stored Murcko scaffold: c1ccc2c(c1)c3c4n2C=CC5CCCN(CC3)C45

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.

LOPAC 00616#1171
Vinpocetine#1778

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 34.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 350.455 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.9; 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 · 14.6845092646492