Chemical Component Summary

Name5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE
Identifiers4-hydroxy-3-[(1S)-1-phenylpropyl]-5,6,7,8,9,10-hexahydrocycloocta[e]pyran-2-one
FormulaC20 H24 O3
Molecular Weight312.403
TypeNON-POLYMER
Isomeric SMILESCC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O
InChIInChI=1S/C20H24O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15,21H,2-4,8-9,12-13H2,1H3/t15-/m0/s1
InChIKeyUXCLJNSXDNCIIT-HNNXBMFYSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count1
Bond Count49
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB08686 
Name5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE
Groups experimental
Synonyms5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE

Drug Targets

NameTarget SequencePharmacological ActionActions
Gag-Pol polyproteinMGARNSVLRGKKADELERIRLRPGGKKKYRLKHIVWAANKLDRFGLAESL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 54685311