Molecule

N6-(2-Hydroxyethyl)adenosine

AlkaPlorer ID: AK301102

Synonym: None

IUPAC Name: 2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Structure

SMILES: OCCNC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O

InChI: InChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)

InChIKey: BBOCDRLDMQHWJP-UHFFFAOYSA-N

Reference

N6-(2-hydroxyethyl)adenosine, a biologically active compound from cultured mycelia of Cordyceps and Isaria species

PubChem CID: 243943

CAS: 4338-48-1

LOTUS: LTS0178941

COCONUT: CNP0360038.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Beauveria bassiana	Beauveria	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Cordyceps militaris	Cordyceps	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Cordyceps pruinosa	Cordyceps	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Cordyceps	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Isaria japonica	Isaria	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Isaria sp.	Isaria	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 311.298

TPSA？: 145.78000000000003

MolLogP？: -2.157999999999999

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	786-0	GI50	100000.0	nM	None
Homo sapiens	A498	GI50	57676.65	nM	None
Homo sapiens	A549	GI50	100000.0	nM	None
Homo sapiens	ACHN	GI50	71285.3	nM	None
Homo sapiens	BT-549	GI50	100000.0	nM	None
Homo sapiens	CAKI-1	GI50	100000.0	nM	None
Homo sapiens	CCRF-CEM	GI50	30338.91	nM	None
Homo sapiens	COLO 205	GI50	100000.0	nM	None
Homo sapiens	DU-145	GI50	19319.68	nM	None
Homo sapiens	EKVX	GI50	100000.0	nM	None
Homo sapiens	HCC 2998	GI50	64863.44	nM	None
Homo sapiens	HCT-116	GI50	70469.31	nM	None
Homo sapiens	HCT-15	GI50	42461.96	nM	None
Homo sapiens	HL-60	GI50	33113.11	nM	None
Homo sapiens	HOP-62	GI50	100000.0	nM	None
Homo sapiens	HOP-92	GI50	51404.37	nM	None
Homo sapiens	Hs-578T	GI50	47973.34	nM	None
Homo sapiens	HT-29	GI50	100000.0	nM	None
Homo sapiens	IGROV-1	GI50	100000.0	nM	None
Homo sapiens	KM12	GI50	100000.0	nM	None
Homo sapiens	LOX IMVI	GI50	40364.54	nM	None
Homo sapiens	M14	GI50	100000.0	nM	None
Homo sapiens	Malme-3M	GI50	100000.0	nM	None
Homo sapiens	MCF7	GI50	39355.01	nM	None
Homo sapiens	MDA-MB-231	GI50	25468.3	nM	None
Homo sapiens	MDA-MB-435	GI50	100000.0	nM	None
Homo sapiens	MDA-N	GI50	100000.0	nM	None
Homo sapiens	MOLT-4	GI50	223.87	nM	None
Homo sapiens	NCI/ADR-RES	GI50	50582.47	nM	None
Homo sapiens	NCI-H23	GI50	100000.0	nM	None
Homo sapiens	NCI-H322M	GI50	38370.72	nM	None
Homo sapiens	NCI-H460	GI50	87902.25	nM	None
Homo sapiens	NCI-H522	GI50	47315.13	nM	None
Homo sapiens	OVCAR-3	GI50	52119.47	nM	None
Homo sapiens	OVCAR-4	GI50	100000.0	nM	None
Homo sapiens	OVCAR-5	GI50	100000.0	nM	None
Homo sapiens	OVCAR-8	GI50	34994.52	nM	None
Homo sapiens	PC-3	GI50	47424.2	nM	None
Homo sapiens	RPMI-8226	GI50	85703.78	nM	None
Homo sapiens	RXF 393	GI50	100000.0	nM	None
Homo sapiens	SF-268	GI50	91622.05	nM	None
Homo sapiens	SF-295	GI50	100000.0	nM	None
Homo sapiens	SF-539	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-2	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-28	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-5	GI50	100000.0	nM	None
Homo sapiens	SK-OV-3	GI50	100000.0	nM	None
Homo sapiens	SN12C	GI50	80537.84	nM	None
Homo sapiens	SNB-19	GI50	100000.0	nM	None
Homo sapiens	SNB-75	GI50	100000.0	nM	None
Homo sapiens	SW-620	GI50	100000.0	nM	None
Homo sapiens	T47D	GI50	100000.0	nM	None
Homo sapiens	TK-10	GI50	71285.3	nM	None
Homo sapiens	U-251	GI50	100000.0	nM	None
Homo sapiens	UACC-257	GI50	100000.0	nM	None
Homo sapiens	UACC-62	GI50	100000.0	nM	None
Homo sapiens	UO-31	GI50	57411.65	nM	None