Floricolin M
| Internal ID | 52add041-e0dd-45bc-a728-c916623d627f |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Phenylbenzofurans |
| IUPAC Name | 3-(4-hydroxyphenyl)-1-methoxydibenzofuran-4-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H14O4/c1-22-16-10-14(11-6-8-12(20)9-7-11)18(21)19-17(16)13-4-2-3-5-15(13)23-19/h2-10,20-21H,1H3 |
| InChI Key | ZJWAJELHRZDOMM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H14O4 |
| Molecular Weight | 306.30 g/mol |
| Exact Mass | 306.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 62.80 Ų |
| XlogP | 4.50 |
| Atomic LogP (AlogP) | 4.67 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 2 |
| CHEMBL4216269 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9902 | 99.02% |
| Caco-2 | - | 0.5908 | 59.08% |
| Blood Brain Barrier | - | 0.5500 | 55.00% |
| Human oral bioavailability | - | 0.5857 | 58.57% |
| Subcellular localzation | Mitochondria | 0.7227 | 72.27% |
| OATP2B1 inhibitior | - | 0.5707 | 57.07% |
| OATP1B1 inhibitior | + | 0.7985 | 79.85% |
| OATP1B3 inhibitior | + | 0.9713 | 97.13% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.8500 | 85.00% |
| BSEP inhibitior | + | 0.8076 | 80.76% |
| P-glycoprotein inhibitior | - | 0.5171 | 51.71% |
| P-glycoprotein substrate | - | 0.7243 | 72.43% |
| CYP3A4 substrate | + | 0.5957 | 59.57% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | + | 0.4038 | 40.38% |
| CYP3A4 inhibition | - | 0.6610 | 66.10% |
| CYP2C9 inhibition | + | 0.9485 | 94.85% |
| CYP2C19 inhibition | + | 0.9344 | 93.44% |
| CYP2D6 inhibition | - | 0.6842 | 68.42% |
| CYP1A2 inhibition | + | 0.9096 | 90.96% |
| CYP2C8 inhibition | + | 0.9211 | 92.11% |
| CYP inhibitory promiscuity | + | 0.9388 | 93.88% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.8708 | 87.08% |
| Carcinogenicity (trinary) | Warning | 0.4406 | 44.06% |
| Eye corrosion | - | 0.9870 | 98.70% |
| Eye irritation | + | 0.7787 | 77.87% |
| Skin irritation | - | 0.6513 | 65.13% |
| Skin corrosion | - | 0.9446 | 94.46% |
| Ames mutagenesis | + | 0.5500 | 55.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5473 | 54.73% |
| Micronuclear | + | 0.8400 | 84.00% |
| Hepatotoxicity | - | 0.5415 | 54.15% |
| skin sensitisation | - | 0.8807 | 88.07% |
| Respiratory toxicity | - | 0.7222 | 72.22% |
| Reproductive toxicity | + | 0.7222 | 72.22% |
| Mitochondrial toxicity | + | 0.5375 | 53.75% |
| Nephrotoxicity | - | 0.8106 | 81.06% |
| Acute Oral Toxicity (c) | III | 0.6521 | 65.21% |
| Estrogen receptor binding | + | 0.9147 | 91.47% |
| Androgen receptor binding | + | 0.9381 | 93.81% |
| Thyroid receptor binding | + | 0.7468 | 74.68% |
| Glucocorticoid receptor binding | + | 0.8725 | 87.25% |
| Aromatase binding | + | 0.8975 | 89.75% |
| PPAR gamma | + | 0.8751 | 87.51% |
| Honey bee toxicity | - | 0.8461 | 84.61% |
| Biodegradation | - | 0.8500 | 85.00% |
| Crustacea aquatic toxicity | + | 0.6551 | 65.51% |
| Fish aquatic toxicity | + | 0.9275 | 92.75% |
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 | 99.23% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 96.51% | 98.35% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.46% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.76% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.51% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.19% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.05% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.70% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.03% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.59% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.35% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.28% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.00% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.92% | 91.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.44% | 97.14% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.49% | 98.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.48% | 99.15% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.95% | 90.20% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.07% | 94.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 139590130 |
| LOTUS | LTS0186215 |
| wikiData | Q105351206 |