Molecule

3,5-Diiodotyrosine; (±)-form

AlkaPlorer ID: AK296492

Synonym: None

IUPAC Name: None

Structure

SMILES: NC(CC1=CC(I)=C([O-])C(I)=C1)C(=O)O

InChI: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/p-1

InChIKey: NYPYHUZRZVSYKL-UHFFFAOYSA-M

Reference

PubChem CID: 134895712

CAS: 300-39-0

NPASS: NPC94249

COCONUT: CNP0246057.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bos taurus	Bos	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Bubalus bubalis	Bubalus	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Undaria pinnatifida	Undaria	Alariaceae	Laminariales	Phaeophyceae	None	None	Eukaryota
None	Gorgonia	Gorgoniidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Sargassum thunbergii	Sargassum	Sargassaceae	Fucales	Phaeophyceae	None	None	Eukaryota
Dendrodoa grossularia	Dendrodoa	Styelidae	Stolidobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota
Polysiphonia urceolata	Polysiphonia	Rhodomelaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota

Properties Information

Molecule Weight: 431.975

TPSA？: 86.38000000000001

MolLogP？: 0.9238000000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A498	GI50	500034.53	nM	None
Homo sapiens	A549	GI50	500034.53	nM	None
Homo sapiens	CAKI-1	GI50	45394.16	nM	None
Homo sapiens	CCRF-CEM	GI50	254683.03	nM	None
Homo sapiens	COLO 205	GI50	263026.8	nM	None
Homo sapiens	DLD-1	GI50	417830.37	nM	None
Homo sapiens	DMS-114	GI50	184926.86	nM	None
Homo sapiens	DMS-273	GI50	206062.99	nM	None
Homo sapiens	EKVX	GI50	315500.46	nM	None
Homo sapiens	HCC 2998	GI50	500034.53	nM	None
Homo sapiens	HCT-116	GI50	469894.11	nM	None
Homo sapiens	HCT-15	GI50	306902.2	nM	None
Homo sapiens	HL-60	GI50	184501.54	nM	None
Homo sapiens	HOP-18	GI50	465586.09	nM	None
Homo sapiens	HOP-62	GI50	500034.53	nM	None
Homo sapiens	HOP-92	GI50	13614.45	nM	None
Homo sapiens	HT-29	GI50	345939.38	nM	None
Homo sapiens	IGROV-1	GI50	500034.53	nM	None
Homo sapiens	K562	GI50	500034.53	nM	None
Homo sapiens	KM12	GI50	500034.53	nM	None
Homo sapiens	KM-20L2	GI50	500034.53	nM	None
Homo sapiens	LOX IMVI	GI50	209411.25	nM	None
Homo sapiens	M19-MEL	GI50	322849.41	nM	None
Homo sapiens	Malme-3M	GI50	500034.53	nM	None
Homo sapiens	MCF7	GI50	394457.3	nM	None
Homo sapiens	MOLT-4	GI50	400866.72	nM	None
Homo sapiens	NCI/ADR-RES	GI50	315500.46	nM	None
Homo sapiens	NCI-H226	GI50	500034.53	nM	None
Homo sapiens	NCI-H23	GI50	287078.06	nM	None
Homo sapiens	NCI-H322M	GI50	500034.53	nM	None
Homo sapiens	NCI-H460	GI50	300607.63	nM	None
Homo sapiens	NCI-H522	GI50	44463.13	nM	None
Homo sapiens	OVCAR-3	GI50	500034.53	nM	None
Homo sapiens	OVCAR-4	GI50	210862.81	nM	None
Homo sapiens	OVCAR-5	GI50	426579.52	nM	None
Homo sapiens	OVCAR-8	GI50	500034.53	nM	None
Homo sapiens	RPMI-8226	GI50	500034.53	nM	None
Homo sapiens	RXF 393	GI50	251767.69	nM	None
Homo sapiens	SF-268	GI50	484172.37	nM	None
Homo sapiens	SF-295	GI50	500034.53	nM	None
Homo sapiens	SF-539	GI50	391741.88	nM	None
Homo sapiens	SK-MEL-2	GI50	500034.53	nM	None
Homo sapiens	SK-MEL-28	GI50	500034.53	nM	None
Homo sapiens	SK-MEL-5	GI50	500034.53	nM	None
Homo sapiens	SK-OV-3	GI50	500034.53	nM	None
Homo sapiens	SN12C	GI50	500034.53	nM	None
Homo sapiens	SN12K1	GI50	168655.3	nM	None
Homo sapiens	SNB-19	GI50	249459.47	nM	None
Homo sapiens	SNB-75	GI50	248885.73	nM	None
Homo sapiens	SNB-78	GI50	500034.53	nM	None
Homo sapiens	SW-620	GI50	162929.6	nM	None
Homo sapiens	U-251	GI50	500034.53	nM	None
Homo sapiens	UACC-257	GI50	293089.32	nM	None
Homo sapiens	UACC-62	GI50	278612.12	nM	None
Homo sapiens	UO-31	GI50	500034.53	nM	None
Homo sapiens	XF498	GI50	347536.16	nM	None
Mus musculus	P388	GI50	21577.44	nM	None
Mus musculus	P388/ADR	GI50	21330.45	nM	None
Staphylococcus aureus	Staphylococcus aureus	Activity	5.0	%	10.1016/j.bmcl.2021.128259
Staphylococcus aureus	Staphylococcus aureus	Activity	26.0	%	10.1016/j.bmcl.2021.128259