Molecule card · MolClass #2229
PROGESTERONE
PROGESTERONE: 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
- PROGESTERONECompound accumulation in C. elegans · compound_name
- MolClass ID
- 2229
- InChIKey
- RJKFOVLPORLFTN-OYEBDCLDSA-N
- Canonical SMILES
- CC(=O)C2CCC3C4CCC1=CC(=O)CCC1(C)C4(CCC23(C))
- Standard InChI
- InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16?,17-,18?,19?,20+,21-/m1/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
- HYDROCORTISONE ACETATE#2219
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.826
- 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 · -1.80876048805727