Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure

InChI Key GJUHUIXJLZINMA-MJCUULBUSA-N
Smile CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C
InChI
InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h5,7,13,17-19,22-23H,4,6,8-9,11-12H2,1-2H3/t17-,18-,19+,20+,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26O2
Molecular Weight 310.44
AlogP 4.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Diseases 3 D006331 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Alzheimer Disease 3 D000544 ClinicalTrials
Memory Disorders 3 D008569 ClinicalTrials
Arthralgia 2 D018771 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL592868
ZINC ZINC000013651845