2-(p-Hydroxybenzyl)prodigiosin
| Internal ID | f0c57b0c-9454-495f-a873-24dd80323521 |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Dipyrrins |
| IUPAC Name | 4-[[5-[4-methoxy-5-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-1H-pyrrol-2-yl]methyl]phenol |
| SMILES (Canonical) | CCCCCC1=C(NC(=C1)C=C2C(=CC(=N2)C3=CC=C(N3)CC4=CC=C(C=C4)O)OC)C |
| SMILES (Isomeric) | CCCCCC1=C(NC(=C1)C=C2C(=CC(=N2)C3=CC=C(N3)CC4=CC=C(C=C4)O)OC)C |
| InChI | InChI=1S/C27H31N3O2/c1-4-5-6-7-20-15-22(28-18(20)2)16-26-27(32-3)17-25(30-26)24-13-10-21(29-24)14-19-8-11-23(31)12-9-19/h8-13,15-17,28-29,31H,4-7,14H2,1-3H3 |
| InChI Key | NUSDKVPRHNDAJA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H31N3O2 |
| Molecular Weight | 429.60 g/mol |
| Exact Mass | 429.24162724 g/mol |
| Topological Polar Surface Area (TPSA) | 73.40 Ų |
| XlogP | 6.10 |
| CHEBI:188594 |
| 4-[[5-[4-methoxy-5-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-1H-pyrrol-2-yl]methyl]phenol |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.28% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.19% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.36% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.76% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 95.71% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.24% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.48% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.84% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.23% | 98.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.32% | 83.57% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.74% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.77% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.53% | 93.99% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.87% | 92.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.33% | 97.25% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 87.98% | 93.53% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 87.17% | 85.40% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.61% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.17% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.42% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.84% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.58% | 96.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.24% | 92.68% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 80.72% | 95.39% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.53% | 90.20% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.26% | 98.59% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.25% | 97.33% |
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 | 102030980 |
| LOTUS | LTS0099767 |
| wikiData | Q77625111 |