Floricolin N
| Internal ID | fc2969d0-f56a-4335-9dad-81920e8fda5f |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Phenylbenzofurans |
| IUPAC Name | 7-(4-hydroxyphenyl)-9-methoxydibenzofuran-3,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H14O5/c1-23-16-9-14(10-2-4-11(20)5-3-10)18(22)19-17(16)13-7-6-12(21)8-15(13)24-19/h2-9,20-22H,1H3 |
| InChI Key | PPKLMLIPWSAQBN-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 |
| CHEMBL4206800 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9902 | 99.02% |
| Caco-2 | + | 0.6191 | 61.91% |
| Blood Brain Barrier | - | 0.5500 | 55.00% |
| Human oral bioavailability | - | 0.6143 | 61.43% |
| Subcellular localzation | Mitochondria | 0.7227 | 72.27% |
| OATP2B1 inhibitior | + | 0.5751 | 57.51% |
| OATP1B1 inhibitior | + | 0.8372 | 83.72% |
| OATP1B3 inhibitior | + | 0.9713 | 97.13% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.8500 | 85.00% |
| BSEP inhibitior | + | 0.8736 | 87.36% |
| P-glycoprotein inhibitior | - | 0.5367 | 53.67% |
| P-glycoprotein substrate | - | 0.5491 | 54.91% |
| CYP3A4 substrate | + | 0.5477 | 54.77% |
| 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 | + | 0.9096 | 90.96% |
| CYP inhibitory promiscuity | + | 0.9388 | 93.88% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.8708 | 87.08% |
| Carcinogenicity (trinary) | Warning | 0.4406 | 44.06% |
| Eye corrosion | - | 0.9870 | 98.70% |
| Eye irritation | + | 0.8146 | 81.46% |
| Skin irritation | - | 0.6513 | 65.13% |
| Skin corrosion | - | 0.9446 | 94.46% |
| Ames mutagenesis | - | 0.5200 | 52.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4741 | 47.41% |
| Micronuclear | + | 0.8400 | 84.00% |
| Hepatotoxicity | - | 0.6324 | 63.24% |
| skin sensitisation | - | 0.8807 | 88.07% |
| Respiratory toxicity | - | 0.6778 | 67.78% |
| Reproductive toxicity | + | 0.7222 | 72.22% |
| Mitochondrial toxicity | + | 0.5375 | 53.75% |
| Nephrotoxicity | - | 0.8617 | 86.17% |
| Acute Oral Toxicity (c) | III | 0.6521 | 65.21% |
| Estrogen receptor binding | + | 0.9427 | 94.27% |
| Androgen receptor binding | + | 0.9106 | 91.06% |
| Thyroid receptor binding | + | 0.7891 | 78.91% |
| Glucocorticoid receptor binding | + | 0.9107 | 91.07% |
| Aromatase binding | + | 0.8663 | 86.63% |
| PPAR gamma | + | 0.8604 | 86.04% |
| Honey bee toxicity | - | 0.8607 | 86.07% |
| Biodegradation | - | 0.9000 | 90.00% |
| Crustacea aquatic toxicity | + | 0.5151 | 51.51% |
| 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 | 99.56% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.49% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.12% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.06% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.52% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.50% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 89.89% | 98.11% |
| CHEMBL3194 | P02766 | Transthyretin | 89.75% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.08% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.27% | 88.48% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.93% | 91.71% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 83.16% | 95.12% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.08% | 93.31% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.08% | 95.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.71% | 99.15% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 82.17% | 89.32% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.04% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.99% | 95.89% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.64% | 94.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.56% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.23% | 89.62% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.13% | 86.92% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.02% | 98.75% |
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 | 139590131 |
| LOTUS | LTS0239785 |
| wikiData | Q104195185 |