Structure

InChI Key YNVGQYHLRCDXFQ-XGXHKTLJSA-N
Smiles C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
InChI
InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28O
Molecular Weight 284.44
AlogP 4.31
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 21.0

Related Entries

Cross References

Resources Reference
ChEBI 31790
ChEMBL CHEMBL2107431
DrugBank DB12474
DrugCentral 1620
FDA SRS N2Z8ALG4U5
KEGG C13037
PubChem 5857
SureChEMBL SCHEMBL37816
ZINC ZINC000003875355