Structure

InChI Key SSNHGLKFJISNTR-DYSNNVSPSA-N
Smile C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
InChI
InChI=1S/2C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,16-17,22H,5-10H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t16-,17-;17-,18+/m10/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H60O4
Molecular Weight 628.94
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials
Multiple Sclerosis 3 D009103 ClinicalTrials
Tourette Syndrome 3 D005879 ClinicalTrials
Neuralgia 3 D009437 ClinicalTrials
Cerebral Palsy 3 D002547 ClinicalTrials
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials
Marijuana Abuse 2 D002189 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Stress Disorders, Post-Traumatic 2 D013313 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3833333
DrugBank DB14011
FDA SRS K4H93P747O
SureChEMBL SCHEMBL19858620