Molecule card · MolClass #2219
HYDROCORTISONE ACETATE
HYDROCORTISONE ACETATE: 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
- HYDROCORTISONE ACETATECompound accumulation in C. elegans · compound_name
- MolClass ID
- 2219
- InChIKey
- ALEXXDVDDISNDU-KPYZGQEZSA-N
- Canonical SMILES
- CC(=O)OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C)))
- Standard InChI
- InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16?,17?,18-,20?,21-,22-,23-/m0/s1
- Stored Murcko scaffold
- C=1[CH]CCC2C1CCC3C2CCC4CCCC43
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 00759#179
- LOPAC 00951#509
- LOPAC 00948#536
- LOPAC 00944#563
- LOPAC 01120#822
- LOPAC 01179#961
- tesosterone#1259
- Medrysone#1323
- Norgestrel-(-)-D#1338
- Hydrocortisone base#1451
- Progesterone#1499
- Testosterone propionate#1508
- Ethisterone#1606
- Norethindrone#1609
- Corticosterone#1622
- Deoxycorticosterone#1924
- ETHISTERONE#2063
- NORETHINDRONE#2146
- FLUDROCORTISONE ACETATE#2217
- PROGESTERONE#2229
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.864
- 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 · -19.8846024157909