Floricolin L
| Internal ID | 1ef7e168-c4e7-4fa0-aa93-2b092ab9783a |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Phenylbenzofurans |
| IUPAC Name | 7-(4-hydroxyphenyl)-9-methoxydibenzofuran-2,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H14O5/c1-23-16-9-13(10-2-4-11(20)5-3-10)18(22)19-17(16)14-8-12(21)6-7-15(14)24-19/h2-9,20-22H,1H3 |
| InChI Key | RTPABBIEOQSNPG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H14O5 |
| Molecular Weight | 322.30 g/mol |
| Exact Mass | 322.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | 4.20 |
| Atomic LogP (AlogP) | 4.38 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 2 |
| CHEMBL4211304 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9902 | 99.02% |
| Caco-2 | + | 0.5395 | 53.95% |
| Blood Brain Barrier | - | 0.5500 | 55.00% |
| Human oral bioavailability | - | 0.6143 | 61.43% |
| Subcellular localzation | Mitochondria | 0.7227 | 72.27% |
| OATP2B1 inhibitior | + | 0.5720 | 57.20% |
| OATP1B1 inhibitior | + | 0.8176 | 81.76% |
| OATP1B3 inhibitior | + | 0.9713 | 97.13% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.8500 | 85.00% |
| BSEP inhibitior | + | 0.7363 | 73.63% |
| P-glycoprotein inhibitior | - | 0.5449 | 54.49% |
| P-glycoprotein substrate | - | 0.6390 | 63.90% |
| CYP3A4 substrate | + | 0.5569 | 55.69% |
| 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 | + | 0.8945 | 89.45% |
| CYP inhibitory promiscuity | + | 0.9388 | 93.88% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.8708 | 87.08% |
| Carcinogenicity (trinary) | Warning | 0.4406 | 44.06% |
| Eye corrosion | - | 0.9870 | 98.70% |
| Eye irritation | + | 0.7739 | 77.39% |
| 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 | - | 0.5000 | 50.00% |
| Micronuclear | + | 0.8400 | 84.00% |
| Hepatotoxicity | - | 0.6238 | 62.38% |
| skin sensitisation | - | 0.8807 | 88.07% |
| Respiratory toxicity | - | 0.6333 | 63.33% |
| Reproductive toxicity | + | 0.7222 | 72.22% |
| Mitochondrial toxicity | + | 0.5375 | 53.75% |
| Nephrotoxicity | - | 0.8772 | 87.72% |
| Acute Oral Toxicity (c) | III | 0.6521 | 65.21% |
| Estrogen receptor binding | + | 0.9003 | 90.03% |
| Androgen receptor binding | + | 0.8904 | 89.04% |
| Thyroid receptor binding | + | 0.7893 | 78.93% |
| Glucocorticoid receptor binding | + | 0.8573 | 85.73% |
| Aromatase binding | + | 0.8493 | 84.93% |
| PPAR gamma | + | 0.8734 | 87.34% |
| Honey bee toxicity | - | 0.8623 | 86.23% |
| Biodegradation | - | 0.8750 | 87.50% |
| Crustacea aquatic toxicity | + | 0.5451 | 54.51% |
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 99.08% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.78% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.32% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.06% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.62% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.11% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 86.83% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.08% | 92.94% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.89% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.88% | 95.56% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.67% | 95.12% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.32% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.73% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.63% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.54% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.35% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.93% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.88% | 89.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.65% | 91.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.55% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 139590129 |
| LOTUS | LTS0248503 |
| wikiData | Q104196920 |