Structure

InChI Key QUEDXNHFTDJVIY-DQCZWYHMSA-N
Smile Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H48O2
Molecular Weight 416.69
AlogP 8.53
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Inflammation 2 D007249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 18185
ChEMBL CHEMBL2151591
DrugBank DB15394
EPA CompTox DTXSID9049031
FDA SRS 8EF1Z1238F
KEGG C02483
SureChEMBL SCHEMBL120346
ZINC ZINC000004284471