Molecule

2'-C-Methyladenosine; 2-Chloro, 5'-deoxy

AlkaPlorer ID: AK305856

Synonym: 2-Chloro-5'-deoxy-2'-C-methyladenosine, Kumusine, Trachycladine A

IUPAC Name: 2-(6-amino-2-chloropurin-9-yl)-3,5-dimethyloxolane-3,4-diol

Structure

SMILES: CC1OC(N2C=NC3=C(N)N=C(Cl)N=C32)C(C)(O)C1O

InChI: InChI=1S/C11H14ClN5O3/c1-4-6(18)11(2,19)9(20-4)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-19H,1-2H3,(H2,13,15,16)

InChIKey: VGXNTNGMCOCQAZ-UHFFFAOYSA-N

Reference

Kumusine, a chloroadenine riboside from a sponge, Theonella sp.

PubChem CID: 387981

CAS: 164672-56-4

LOTUS: LTS0012345

COCONUT: CNP0313508.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trachycladus laevispirulifer	Trachycladus	Trachycladidae	Trachycladida	Demospongiae	Porifera	Metazoa	Eukaryota
Theonella cupola	Theonella	Theonellidae	Tetractinellida	Demospongiae	Porifera	Metazoa	Eukaryota
Theonella sp.	Theonella	Theonellidae	Tetractinellida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 299.718

TPSA？: 119.31000000000002

MolLogP？: 0.0911000000000001

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	786-0	GI50	25003.45	nM	None
Homo sapiens	A498	GI50	25003.45	nM	None
Homo sapiens	A549	GI50	25003.45	nM	None
Homo sapiens	ACHN	GI50	25003.45	nM	None
Homo sapiens	BT-549	GI50	25003.45	nM	None
Homo sapiens	CAKI-1	GI50	25003.45	nM	None
Homo sapiens	CCRF-CEM	GI50	25003.45	nM	None
Homo sapiens	COLO 205	GI50	25003.45	nM	None
Homo sapiens	DU-145	GI50	25003.45	nM	None
Homo sapiens	EKVX	GI50	25003.45	nM	None
Homo sapiens	HCC 2998	GI50	25003.45	nM	None
Homo sapiens	HCT-116	GI50	25003.45	nM	None
Homo sapiens	HCT-15	GI50	25003.45	nM	None
Homo sapiens	HL-60	GI50	25003.45	nM	None
Homo sapiens	HOP-62	GI50	25003.45	nM	None
Homo sapiens	HOP-92	GI50	25003.45	nM	None
Homo sapiens	Hs-578T	GI50	25003.45	nM	None
Homo sapiens	HT-29	GI50	25003.45	nM	None
Homo sapiens	IGROV-1	GI50	25003.45	nM	None
Homo sapiens	K562	GI50	25003.45	nM	None
Homo sapiens	KM12	GI50	25003.45	nM	None
Homo sapiens	LOX IMVI	GI50	25003.45	nM	None
Homo sapiens	M14	GI50	25003.45	nM	None
Homo sapiens	Malme-3M	GI50	25003.45	nM	None
Homo sapiens	MCF7	GI50	25003.45	nM	None
Homo sapiens	MDA-MB-231	GI50	25003.45	nM	None
Homo sapiens	MDA-MB-435	GI50	25003.45	nM	None
Homo sapiens	MDA-N	GI50	25003.45	nM	None
Homo sapiens	MOLT-4	GI50	25003.45	nM	None
Homo sapiens	NCI/ADR-RES	GI50	25003.45	nM	None
Homo sapiens	NCI-H226	GI50	25003.45	nM	None
Homo sapiens	NCI-H23	GI50	25003.45	nM	None
Homo sapiens	NCI-H322M	GI50	25003.45	nM	None
Homo sapiens	NCI-H522	GI50	25003.45	nM	None
Homo sapiens	OVCAR-3	GI50	25003.45	nM	None
Homo sapiens	OVCAR-4	GI50	25003.45	nM	None
Homo sapiens	OVCAR-5	GI50	25003.45	nM	None
Homo sapiens	OVCAR-8	GI50	19769.7	nM	None
Homo sapiens	RPMI-8226	GI50	25003.45	nM	None
Homo sapiens	RXF 393	GI50	25003.45	nM	None
Homo sapiens	SF-268	GI50	25003.45	nM	None
Homo sapiens	SF-295	GI50	25003.45	nM	None
Homo sapiens	SF-539	GI50	25003.45	nM	None
Homo sapiens	SK-MEL-2	GI50	25003.45	nM	None
Homo sapiens	SK-MEL-5	GI50	25003.45	nM	None
Homo sapiens	SK-OV-3	GI50	25003.45	nM	None
Homo sapiens	SN12C	GI50	25003.45	nM	None
Homo sapiens	SNB-19	GI50	25003.45	nM	None
Homo sapiens	SNB-75	GI50	1406.05	nM	None
Homo sapiens	SR	GI50	25003.45	nM	None
Homo sapiens	SW-620	GI50	25003.45	nM	None
Homo sapiens	T47D	GI50	25003.45	nM	None
Homo sapiens	TK-10	GI50	25003.45	nM	None
Homo sapiens	UACC-257	GI50	25003.45	nM	None
Homo sapiens	UACC-62	GI50	25003.45	nM	None
Homo sapiens	UO-31	GI50	16672.47	nM	None