Diethanolamine
AlkaPlorer ID: AK009676
Synonym: 2,2'-Iminobisethanol, Bis(2-hydroxyethyl)amine, 2,2'-Iminodiethanol, 2,2'-Dihydroxydiethylamine, Diolamine
IUPAC Name: 2-(2-hydroxyethylamino)ethanol
Structure
SMILES: OCCNCCO
InChI: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKey: ZBCBWPMODOFKDW-UHFFFAOYSA-N
Reference
Diethanolamine, a Secondary Amine from the Compositae
PubChem CID: 8113
CAS: 111-42-2
LOTUS: LTS0021100
NPASS: NPC328729
COCONUT: CNP0247543
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echinops exaltatus | Echinops | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 105.137
TPSA？: 52.49
MolLogP？: -1.4393999999999998
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 28183.8 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 100000.0 | nM | None |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 31622.8 | nM | None |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 39810.7 | nM | None |
| Homo sapiens | Geminin | Potency | 103.2 | nM | None |
| Homo sapiens | HepG2 | Potency | 398.1 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 74978.0 | nM | None |
| Homo sapiens | Nuclear receptor ROR-gamma | Potency | 943.9 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 31622.8 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 4466.8 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1100000.0 | nM | 10.1021/jm9701886 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 4653.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 14715.7 | nM | None |
| Rattus norvegicus | Nuclear receptor subfamily 1 group I member 2 | Potency | 35481.3 | nM | None |
| Rattus norvegicus | Rattus norvegicus | ALB | 43300.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALB | 43400.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALB | 47000.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALP | 407.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALP | 449.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALP | 468.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALT | 40.2 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALT | 45.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | ALT | 54.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 125.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 196.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | AST | 305.8 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BASOLE | 0.47 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BASOLE | 0.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BASOLE | 1.68 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BILI | 3.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BILI | 3.4 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BILI | 4.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BUN | 180.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BUN | 183.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | BUN | 322.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHLORIDE | 106.0 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHLORIDE | 109.33 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHLORIDE | 111.0 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 466.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 750.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CHOL | 826.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 123.4 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 164.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CK | 320.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 24330000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 26000000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CO2 | 27600000.0 | nM | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CREAT | 3.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CREAT | 5.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | CREAT | 5.6 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | EOSLE | 0.28 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | EOSLE | 0.37 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1620.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1643.3 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | GLUC | 1816.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 37.84 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 41.37 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HCT | 42.63 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 125800.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 132300.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | HGB | 135700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 58.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 81.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LDH | 102.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LIPASE | 19.0 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LIPASE | 21.33 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LIPASE | 24.67 | U.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 79.3 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 85.43 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | LYMLE | 87.67 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCH | 19.88 | pg | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCH | 20.17 | pg | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCH | 21.6 | pg | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 317700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 321000.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCHC | 332600.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 59.7 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 63.43 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MCV | 67.4 | fL | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONOLE | 1.7 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONOLE | 2.03 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | MONOLE | 2.37 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 6.8 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 9.9 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | NEUTLE | 15.34 | % | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 126.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 128.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PHOS | 134.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 590000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 1227000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PLAT | 1342000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | POTASSIUM | 5.54 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | POTASSIUM | 5.67 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | POTASSIUM | 6.33 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 63200.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 65000.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | PROT | 70700.0 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 6140000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 6330000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | RBC | 6720000.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 151.0 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 152.67 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | SODIUM | 154.33 | mEq.L-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | Tissue Severity Score | nan | None | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 6.8 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 20.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | URATE | 22.7 | ug.mL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 7200.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 8170.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Rattus norvegicus | Rattus norvegicus | WBC | 17160.0 | cells.uL-1 | 10.6019/CHEMBL3885881 |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 17782.8 | nM | None |