Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B49D0HH807

Structure

InChI Key HCAWPGARWVBULJ-IAGOWNOFSA-N
Smile CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21
InChI
InChI=1S/C21H30O2/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/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O2
Molecular Weight 314.47
AlogP 5.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 183415
ChEMBL CHEMBL267227
EPA CompTox DTXSID20878586
FDA SRS B49D0HH807
PubChem 638026
SureChEMBL SCHEMBL2762327
ZINC ZINC000001721178