Uroporphyrin I

Details

• Internal ID: 65893cf2-8617-40b5-9cbe-5594992128ac
• Taxonomy: Organoheterocyclic compounds > Tetrapyrroles and derivatives > Porphyrins
• IUPAC Name: 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid
• InChI: InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41-42H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
• InChI Key: MOTVYDVWODTRDF-UHFFFAOYSA-N
• Popularity: 289 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₃₈N₄O₁₆
• Molecular Weight: 830.70 g/mol
• Exact Mass: 830.22828114 g/mol
• Topological Polar Surface Area (TPSA): 356.00 Ų
• XlogP: -1.00

Synonyms

• 607-14-7
• 2,7,12,17-Porphinetetrapropionic acid
• 7GCA4YUE1K
• 3,8,13,18-tetrakis(carboxymethyl)porphyrin-2,7,12,17-tetrapropanoic acid
• 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-
• 3,8,13,18-Tetrakis(carboxymethyl)-21H,23H-porphine-2,7,12,17-tetrapropanoic acid
• UNII-7GCA4YUE1K
• CHEMBL429013
• SCHEMBL4327021
• CHEBI:27484
• DTXSID80862284
• DTXSID90896979
• 2,7,12,17-porphinetetrapropionate
• C05767
• 3,8,13,18-tetrakis(carboxymethyl)porphyrin-2,7,12,17-tetrapropanoate
• 3,8,13,18-tetrakis(carboxymethyl)porphyrin-2,7,12,17-tetrapropionic acid
• 3,3',3'',3'''-(3,8,13,18-tetrakis-carboxymethyl-21H,23H-porphine-2,7,12,17-tetrayl)-tetrakis-propionate
• 3,3',3'',3'''-(3,8,13,18-tetrakis-carboxymethyl-21H,23H-porphine-2,7,12,17-tetrayl)-tetrakis-propionic acid
• 3,3',3'',3'''-(3,8,13,18-tetrakis-carboxymethyl-porphyrin-2,7,12,17-tetrayl)-tetra-propionate
• 3,3',3'',3'''-(3,8,13,18-tetrakis-carboxymethyl-porphyrin-2,7,12,17-tetrayl)-tetra-propionic acid
• 3,3',3'',3'''-[3,8,13,18-Tetrakis(carboxymethyl)porphyrin-2,7,12,17-tetrayl]tetrapropanoic acid
• 3-[(5Z,10Z,14Z,19Z)-7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetrakis(carboxymethyl)-21,23-dihydroporphyrin-2-yl]propanoic acid
• 3-[7,12,17-tris-(2-carboxy-ethyl)-3,8,13,18-tetrakis-carboxymethyl-22,24-dihydro-porphin-2-yl]-propionate
• 3-[7,12,17-tris-(2-carboxy-ethyl)-3,8,13,18-tetrakis-carboxymethyl-22,24-dihydro-porphin-2-yl]-propionic acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	98.83%	83.82%
CHEMBL2581	P07339	Cathepsin D	94.53%	98.95%
CHEMBL1781	P11387	DNA topoisomerase I	92.78%	97.00%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	91.97%	94.62%
CHEMBL221	P23219	Cyclooxygenase-1	90.91%	90.17%
CHEMBL2216739	Q92523	Carnitine O-palmitoyltransferase 1, muscle isoform	89.90%	88.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.75%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.22%	96.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.13%	86.33%
CHEMBL1952	P04818	Thymidylate synthase	86.46%	93.53%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.17%	96.09%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.21%	97.21%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.84%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.73%	90.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.87%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.13%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 72424
• LOTUS: LTS0196640
• wikiData: Q105169156