Structure of molecule 1357

Molecule card · MolClass #1357

Cortisone

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

3 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
CortisoneFlucanozole Synergizer · compound_name
222786P.falciparum Sensitivity · compound_name
855981Mitochondrial Fusion · compound_name
MolClass ID
1357
InChIKey
MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Canonical SMILES
CC24(CCC(=O)C=C4(CCC1C3CCC(O)(C(=O)CO)C3(C)(CC(=O)C12)))
Standard InChI
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
Stored Murcko scaffold
C=1[CH]CCC2C1CCC3C2[CH]CC4CCCC43

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
5
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
91.67 Ų
CDK 2.12 · 2026-08-19
Molecular weight
360.445 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.14
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 · Cortisone

  • P.falciparum Sensitivity

    Dataset #8 · 222786

  • Mitochondrial Fusion

    Dataset #19 · 855981