Molecule card · MolClass #1921

Adrenosterone

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

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: AdrenosteroneFlucanozole Synergizer · compound_name
HMDB06772Metabolite Likeness · compound_name
MolClass ID: 1921
InChIKey: RZRPTBIGEANTGU-IRIMSJTPSA-N
Canonical SMILES: CC34(CC(=O)C2C(CCC1=CC(=O)CCC12(C))C4(CCC3(=O)))
Standard InChI: InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
Stored Murcko scaffold: C=1[CH]CCC2C1CCC3C2[CH]CC4[CH]CCC43

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.

CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O#155089

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: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 51.21 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 300.393 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.741; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Flucanozole Synergizer
Dataset #3 · Adrenosterone
Metabolite Likeness
Dataset #15 · HMDB06772