Tolyporphin F
| Internal ID | 6d11bf43-66f7-4bde-9339-2d64a8d9c6f4 |
| Taxonomy | Organoheterocyclic compounds > Tetrapyrroles and derivatives |
| IUPAC Name | [5-hydroxy-2-(12-hydroxy-2,8,12,17-tetramethyl-3,13-dioxo-22,24-dihydroporphyrin-2-yl)-6-methyloxan-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H34N4O7/c1-14-8-19-10-26-31(5,30-25(43-17(4)37)13-24(38)16(3)42-30)28(39)22(35-26)9-18-7-15(2)21(33-18)12-27-32(6,41)29(40)23(36-27)11-20(14)34-19/h7-12,16,24-25,30,33-34,38,41H,13H2,1-6H3 |
| InChI Key | ZARYZUPFPJSRQD-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C32H34N4O7 |
| Molecular Weight | 586.60 g/mol |
| Exact Mass | 586.24274944 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 3.00 |
| Atomic LogP (AlogP) | 3.63 |
| H-Bond Acceptor | 9 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 2 |
| DTXSID701334081 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.8465 | 84.65% |
| Caco-2 | - | 0.8323 | 83.23% |
| Blood Brain Barrier | - | 0.7000 | 70.00% |
| Human oral bioavailability | - | 0.6000 | 60.00% |
| Subcellular localzation | Mitochondria | 0.5854 | 58.54% |
| OATP2B1 inhibitior | - | 0.7131 | 71.31% |
| OATP1B1 inhibitior | + | 0.8986 | 89.86% |
| OATP1B3 inhibitior | + | 0.9156 | 91.56% |
| MATE1 inhibitior | - | 0.9000 | 90.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | + | 0.9857 | 98.57% |
| P-glycoprotein inhibitior | + | 0.7990 | 79.90% |
| P-glycoprotein substrate | - | 0.5225 | 52.25% |
| CYP3A4 substrate | + | 0.6769 | 67.69% |
| CYP2C9 substrate | - | 0.6060 | 60.60% |
| CYP2D6 substrate | - | 0.8744 | 87.44% |
| CYP3A4 inhibition | - | 0.8495 | 84.95% |
| CYP2C9 inhibition | - | 0.6268 | 62.68% |
| CYP2C19 inhibition | - | 0.7024 | 70.24% |
| CYP2D6 inhibition | - | 0.8799 | 87.99% |
| CYP1A2 inhibition | - | 0.6083 | 60.83% |
| CYP2C8 inhibition | + | 0.4707 | 47.07% |
| CYP inhibitory promiscuity | - | 0.6542 | 65.42% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.9400 | 94.00% |
| Carcinogenicity (trinary) | Non-required | 0.4638 | 46.38% |
| Eye corrosion | - | 0.9905 | 99.05% |
| Eye irritation | - | 0.9155 | 91.55% |
| Skin irritation | - | 0.7975 | 79.75% |
| Skin corrosion | - | 0.9264 | 92.64% |
| Ames mutagenesis | - | 0.5800 | 58.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5485 | 54.85% |
| Micronuclear | + | 0.7300 | 73.00% |
| Hepatotoxicity | - | 0.5000 | 50.00% |
| skin sensitisation | - | 0.8699 | 86.99% |
| Respiratory toxicity | + | 0.7778 | 77.78% |
| Reproductive toxicity | + | 0.8111 | 81.11% |
| Mitochondrial toxicity | + | 0.7625 | 76.25% |
| Nephrotoxicity | - | 0.7405 | 74.05% |
| Acute Oral Toxicity (c) | III | 0.5323 | 53.23% |
| Estrogen receptor binding | + | 0.8452 | 84.52% |
| Androgen receptor binding | + | 0.6389 | 63.89% |
| Thyroid receptor binding | + | 0.6547 | 65.47% |
| Glucocorticoid receptor binding | + | 0.7031 | 70.31% |
| Aromatase binding | + | 0.6467 | 64.67% |
| PPAR gamma | + | 0.6815 | 68.15% |
| Honey bee toxicity | - | 0.8313 | 83.13% |
| Biodegradation | - | 0.9000 | 90.00% |
| Crustacea aquatic toxicity | + | 0.5200 | 52.00% |
| Fish aquatic toxicity | - | 0.4539 | 45.39% |
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 | 98.89% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.51% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.59% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.85% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.15% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.29% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.09% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.64% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.02% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.22% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.87% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.18% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.97% | 94.80% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.92% | 96.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.84% | 91.49% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.63% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.64% | 94.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.48% | 85.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.40% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.77% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.51% | 91.07% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.31% | 96.39% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.19% | 94.73% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.11% | 81.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.06% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 85083486 |
| LOTUS | LTS0165345 |
| wikiData | Q77574374 |