3,3'-Diiodothyronine
AlkaPlorer ID: AK296487
Synonym: O-(4-Hydroxy-3-iodophenyl)-3-iodotyrosine, 3-[4-(4-Hydroxy-3-iodophenoxy)-3-iodophenyl]alanine
IUPAC Name: 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
Structure
SMILES: NC(CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C=C1)C(=O)O
InChI: InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)
InChIKey: CPCJBZABTUOGNM-UHFFFAOYSA-N
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 |
Properties Information
Molecule Weight: 525.0800000000002
TPSA？: 92.78000000000002
MolLogP？: 3.3481000000000014
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Sulfotransferase 1A1 | Activity | nan | None | None |
| Homo sapiens | Sulfotransferase family cytosolic 1B member 1 | Activity | nan | None | None |
| Rattus norvegicus | Bile acid transporter | Activity | nan | None | 10.1006/bbrc.1998.9974 |
| Rattus norvegicus | Monocarboxylate transporter 8 | Activity | nan | None | 10.1074/jbc.m300909200 |
| Rattus norvegicus | Rattus norvegicus | Activity | 0.056 | % | 10.1021/jm00217a001 |
| Rattus norvegicus | Rattus norvegicus | log(%) | -1.252 | None | 10.1021/jm00217a001 |
| Rattus norvegicus | Solute carrier organic anion transporter family member 1A1 | Activity | nan | None | 10.1006/bbrc.1998.9974 |
| None | Unchecked | log(%) | -0.301 | None | 10.1021/jm00217a001 |
| None | Unchecked | log(%) | -0.162 | None | 10.1021/jm00217a001 |
| None | Unchecked | RBA | 0.5 | % | 10.1021/jm00217a001 |
| None | Unchecked | RBA | 0.688 | % | 10.1021/jm00217a001 |