Structure

InChI Key OJZYRQPMEIEQFC-UAWLTFRCSA-N
Smile CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O
InChI
InChI=1S/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H36O5
Molecular Weight 380.53
AlogP 3.89
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Spinal Cord Diseases 3 D013118 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 74397-12-9
ChEBI 135594
ChEMBL CHEMBL2107456
DrugBank DB09211
DrugCentral 1581
FDA SRS L02U804092
PubChem 6438378
SureChEMBL SCHEMBL373011
ZINC ZINC000004216741