Structure

InChI Key DLVOSEUFIRPIRM-KAQKJVHQSA-N
Smiles C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1
InChI
InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H42O6
Molecular Weight 486.65
AlogP 4.3
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 35.0

Bioactivity

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST DailyMed Wikipedia
Protein: Glucocorticoid receptor

Description: Glucocorticoid receptor

Organism : Homo sapiens

P04150 ENSG00000113580

Cross References

Resources Reference
ChEBI 5783
ChEMBL CHEMBL1549
DrugBank DB14541
DrugCentral 1390
FDA SRS 4XDY25L70B
KEGG C08176
PubChem 223253
SureChEMBL SCHEMBL41673
ZINC ZINC000004097470