5-Hydroxydopa
| Internal ID | 919135c1-6dfe-4203-a5ad-066ce285726d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | (2S)-2-amino-3-(3,4,5-trihydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H11NO5/c10-5(9(14)15)1-4-2-6(11)8(13)7(12)3-4/h2-3,5,11-13H,1,10H2,(H,14,15)/t5-/m0/s1 |
| InChI Key | KQZQZOQFUQXPLW-YFKPBYRVSA-N |
| Popularity | 30 references in papers |
| Molecular Formula | C9H11NO5 |
| Molecular Weight | 213.19 g/mol |
| Exact Mass | 213.06372245 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | -3.10 |
| Atomic LogP (AlogP) | -0.24 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 3 |
| 3,5-dihydroxy-l-tyrosine |
| 3,5-Dihydroxytyrosine |
| L-Tyrosine, 3,5-dihydroxy- |
| RU27HMS63Y |
| (2S)-2-amino-3-(3,4,5-trihydroxyphenyl)propanoic acid |
| 16032-83-0 |
| 3,4,5-trihydroxy-l-phenylalanine |
| 18674-59-4 |
| 5-OH-Dopa |
| 2-Amino-3-(3,4,5-trihydroxyphenyl)propanoic acid, (2S)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9110 | 91.10% |
| Caco-2 | - | 0.9214 | 92.14% |
| Blood Brain Barrier | - | 0.9250 | 92.50% |
| Human oral bioavailability | + | 0.5714 | 57.14% |
| Subcellular localzation | Nucleus | 0.6291 | 62.91% |
| OATP2B1 inhibitior | - | 0.8599 | 85.99% |
| OATP1B1 inhibitior | + | 0.9158 | 91.58% |
| OATP1B3 inhibitior | + | 0.9437 | 94.37% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.8204 | 82.04% |
| P-glycoprotein inhibitior | - | 0.9891 | 98.91% |
| P-glycoprotein substrate | - | 0.9690 | 96.90% |
| CYP3A4 substrate | - | 0.7869 | 78.69% |
| CYP2C9 substrate | - | 0.6291 | 62.91% |
| CYP2D6 substrate | - | 0.7403 | 74.03% |
| CYP3A4 inhibition | - | 0.8632 | 86.32% |
| CYP2C9 inhibition | - | 0.9662 | 96.62% |
| CYP2C19 inhibition | - | 0.9335 | 93.35% |
| CYP2D6 inhibition | - | 0.9231 | 92.31% |
| CYP1A2 inhibition | - | 0.9114 | 91.14% |
| CYP2C8 inhibition | - | 0.8619 | 86.19% |
| CYP inhibitory promiscuity | - | 0.9649 | 96.49% |
| UGT catelyzed | + | 0.5362 | 53.62% |
| Carcinogenicity (binary) | - | 0.6600 | 66.00% |
| Carcinogenicity (trinary) | Non-required | 0.7880 | 78.80% |
| Eye corrosion | - | 0.9957 | 99.57% |
| Eye irritation | + | 0.8026 | 80.26% |
| Skin irritation | - | 0.7092 | 70.92% |
| Skin corrosion | - | 0.9341 | 93.41% |
| Ames mutagenesis | - | 0.6900 | 69.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7016 | 70.16% |
| Micronuclear | + | 0.7600 | 76.00% |
| Hepatotoxicity | - | 0.5381 | 53.81% |
| skin sensitisation | + | 0.5172 | 51.72% |
| Respiratory toxicity | + | 0.7444 | 74.44% |
| Reproductive toxicity | + | 0.8889 | 88.89% |
| Mitochondrial toxicity | + | 0.9250 | 92.50% |
| Nephrotoxicity | - | 0.9031 | 90.31% |
| Acute Oral Toxicity (c) | III | 0.7868 | 78.68% |
| Estrogen receptor binding | - | 0.8452 | 84.52% |
| Androgen receptor binding | + | 0.7498 | 74.98% |
| Thyroid receptor binding | - | 0.6968 | 69.68% |
| Glucocorticoid receptor binding | - | 0.7087 | 70.87% |
| Aromatase binding | - | 0.9119 | 91.19% |
| PPAR gamma | - | 0.4876 | 48.76% |
| Honey bee toxicity | - | 0.9639 | 96.39% |
| Biodegradation | - | 0.7250 | 72.50% |
| Crustacea aquatic toxicity | - | 0.7000 | 70.00% |
| Fish aquatic toxicity | - | 0.4891 | 48.91% |
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.82% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.33% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.35% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.15% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.83% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.34% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.60% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.30% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.74% | 97.21% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.20% | 99.35% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.99% | 92.29% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.39% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 161161 |
| LOTUS | LTS0247639 |
| wikiData | Q82912474 |