Molecule

win VI

AlkaPlorer ID: AK146836

Synonym: None

IUPAC Name: 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole

Structure

SMILES: CC1=NOC(CCCCCOC2=CC=C(C3=NCCO3)C=C2)=C1

InChI: InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3

InChIKey: IWZDYGHUSXWPPM-UHFFFAOYSA-N

Reference

Cytotoxic and Anti-Inflammatory Prenylated Benzoylphloroglucinols and Xanthones from the Twigs of<i>Garcinia esculenta</i>

PubChem CID: 1786

CAS: 5454-03-5

SuperNatural Ⅲ: SN0157513

COCONUT: CNP0181467

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 314.38500000000005

TPSA？: 56.85000000000001

MolLogP？: 3.5516200000000024

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Enterovirus	Enterovirus	MIC	0.1	ug.mL-1	10.1021/jm00150a025
Enterovirus	Enterovirus	MIC	60.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	200.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	300.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	400.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	700.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	900.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	1100.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	1200.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	1500.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	2400.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	5160.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	5200.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	7000.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	9900.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	15000.0	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC	nan	nM	10.1021/jm00122a027
Enterovirus	Enterovirus	MIC80	7000.0	nM	10.1021/jm00122a027
Human rhinovirus 1A	Human rhinovirus 1A	MIC	7000.0	nM	10.1021/jm00385a021
Human rhinovirus sp.	Human rhinovirus sp.	Activity	0.7	uM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	Activity	nan	None	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	60.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	100.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	300.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	400.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	500.0	nM	10.1021/jm970372r
Human rhinovirus sp.	Human rhinovirus sp.	MIC	700.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	900.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	1100.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	1200.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	1500.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	2400.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	5200.0	nM	10.1021/jm00385a021
Human rhinovirus sp.	Human rhinovirus sp.	MIC	7000.0	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC	nan	nM	10.1021/jm00050a014
Human rhinovirus sp.	Human rhinovirus sp.	MIC80	7000.0	nM	10.1021/jm00050a014
Mus musculus	Mus musculus	MIC	0.003	ug.mL-1	10.1021/jm00150a025
Mus musculus	Mus musculus	MIC	3.1	ug.mL-1	10.1021/jm00150a025
Poliovirus 2	Poliovirus 2	IC50	3.0	nM	10.1016/j.ejmech.2019.06.008
rhinovirus A15	rhinovirus A15	MIC	1500.0	nM	10.1021/jm00385a021
rhinovirus A1B	rhinovirus A1B	MIC	nan	nM	10.1021/jm00385a021
rhinovirus A2	rhinovirus A2	IC50	100.0	nM	10.1016/j.ejmech.2019.06.008
rhinovirus A2	rhinovirus A2	MIC	1100.0	nM	10.1021/jm00385a021
rhinovirus A2	rhinovirus A2	MIC80	7000.0	nM	10.1021/jm00385a021
rhinovirus A2	rhinovirus A2	MTL	9.9	uM	10.1021/jm00385a021
rhinovirus A21	rhinovirus A21	MIC	1200.0	nM	10.1021/jm00385a021
rhinovirus A22	rhinovirus A22	MIC	900.0	nM	10.1021/jm00385a021
rhinovirus A25	rhinovirus A25	MIC	nan	nM	10.1021/jm00385a021
rhinovirus A30	rhinovirus A30	MIC	300.0	nM	10.1021/jm00385a021
rhinovirus A41	rhinovirus A41	MIC	15000.0	nM	10.1021/jm00385a021
rhinovirus A50	rhinovirus A50	MIC	1500.0	nM	10.1021/jm00385a021
rhinovirus A67	rhinovirus A67	MIC	2400.0	nM	10.1021/jm00385a021
rhinovirus A89	rhinovirus A89	MIC	400.0	nM	10.1021/jm00385a021
rhinovirus B14	rhinovirus B14	MIC	510.0	nM	10.1021/jm00084a005
rhinovirus B14	rhinovirus B14	MIC	510.0	nM	10.1021/jm00167a006
rhinovirus B14	rhinovirus B14	MIC	700.0	nM	10.1021/jm00385a021
rhinovirus B14	rhinovirus B14	MIC	1270.0	nM	10.1021/jm00167a006
rhinovirus B6	rhinovirus B6	MIC	60.0	nM	10.1021/jm00385a021
rhinovirus B86	rhinovirus B86	MIC	200.0	nM	10.1021/jm00385a021
None	ADMET	Log 1/MIC	0.14	None	10.1021/jm00084a005
None	No relevant target	CLogP	3.83	None	10.1021/jm00122a027
None	No relevant target	LogP	3.83	None	10.1021/jm00385a021
None	No relevant target	LogP	3.9	None	10.1021/jm00084a005
None	Unchecked	-ln (MIC)	14.5	None	10.1021/jm00053a009