PREDNYLIDENE

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Synonyms
Status
Molecule Category Free-form
ATC H02AB11
UNII IF8PQP966U
EPA CompTox DTXSID50208610

Structure

InChI Key WSVOMANDJDYYEY-CWNVBEKCSA-N
Smiles C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChI
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O5
Molecular Weight 372.46
AlogP 1.72
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Related Entries

Cross References

Resources Reference
ChEBI 135572
ChEMBL CHEMBL2105359
DrugBank DB13208
DrugCentral 2254
FDA SRS IF8PQP966U
PubChem 20055008
SureChEMBL SCHEMBL7568
ZINC ZINC000004214177
CONTENTS