PROMESTRIENE

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Synonyms
Status
Molecule Category Free-form
ATC G03CA09
UNII GXM4PER6WZ

Structure

InChI Key IUWKNLFTJBHTSD-AANPDWTMSA-N
Smiles CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12
InChI
InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O2
Molecular Weight 328.5
AlogP 5.35
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 18.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Related Entries

Cross References

Resources Reference
ChEBI 135402
ChEMBL CHEMBL2105394
DrugCentral 4023
FDA SRS GXM4PER6WZ
PubChem 9883915
SureChEMBL SCHEMBL5188890
ZINC ZINC000001999256
CONTENTS