7-Phenylfuro[3,2-h]chromen-6-one
| Internal ID | 039641c5-257a-482e-8727-f602aec1ba50 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 7-phenylfuro[3,2-h]chromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H10O3/c18-15-13-7-6-12-8-9-19-16(12)17(13)20-10-14(15)11-4-2-1-3-5-11/h1-10H |
| InChI Key | SAUCZBLVIUCBIX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H10O3 |
| Molecular Weight | 262.26 g/mol |
| Exact Mass | 262.062994177 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 3.60 |
| Atomic LogP (AlogP) | 4.21 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 0 |
| Rotatable Bonds | 1 |
| There are no found synonyms. |
![2D Structure of 7-Phenylfuro[3,2-h]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-phenylfuro32-hchromen-6-one.jpg "2D Structure of 7-Phenylfuro[3,2-h]chromen-6-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9969 | 99.69% |
| Caco-2 | + | 0.6318 | 63.18% |
| Blood Brain Barrier | - | 0.5750 | 57.50% |
| Human oral bioavailability | + | 0.6857 | 68.57% |
| Subcellular localzation | Mitochondria | 0.8165 | 81.65% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9650 | 96.50% |
| OATP1B3 inhibitior | + | 0.9756 | 97.56% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | + | 0.6053 | 60.53% |
| P-glycoprotein inhibitior | - | 0.4785 | 47.85% |
| P-glycoprotein substrate | - | 0.9540 | 95.40% |
| CYP3A4 substrate | - | 0.5859 | 58.59% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.7979 | 79.79% |
| CYP3A4 inhibition | + | 0.7777 | 77.77% |
| CYP2C9 inhibition | + | 0.7768 | 77.68% |
| CYP2C19 inhibition | + | 0.8638 | 86.38% |
| CYP2D6 inhibition | - | 0.7258 | 72.58% |
| CYP1A2 inhibition | + | 0.9462 | 94.62% |
| CYP2C8 inhibition | - | 0.5720 | 57.20% |
| CYP inhibitory promiscuity | + | 0.7550 | 75.50% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9900 | 99.00% |
| Carcinogenicity (trinary) | Non-required | 0.4369 | 43.69% |
| Eye corrosion | - | 0.9826 | 98.26% |
| Eye irritation | + | 0.8200 | 82.00% |
| Skin irritation | + | 0.7113 | 71.13% |
| Skin corrosion | - | 0.9727 | 97.27% |
| Ames mutagenesis | + | 0.5700 | 57.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5594 | 55.94% |
| Micronuclear | + | 0.7700 | 77.00% |
| Hepatotoxicity | + | 0.5625 | 56.25% |
| skin sensitisation | - | 0.6929 | 69.29% |
| Respiratory toxicity | + | 0.5222 | 52.22% |
| Reproductive toxicity | + | 0.7000 | 70.00% |
| Mitochondrial toxicity | - | 0.5375 | 53.75% |
| Nephrotoxicity | + | 0.7501 | 75.01% |
| Acute Oral Toxicity (c) | II | 0.5445 | 54.45% |
| Estrogen receptor binding | + | 0.9570 | 95.70% |
| Androgen receptor binding | + | 0.9119 | 91.19% |
| Thyroid receptor binding | + | 0.7759 | 77.59% |
| Glucocorticoid receptor binding | + | 0.8740 | 87.40% |
| Aromatase binding | + | 0.9504 | 95.04% |
| PPAR gamma | + | 0.8289 | 82.89% |
| Honey bee toxicity | - | 0.9253 | 92.53% |
| Biodegradation | - | 0.9500 | 95.00% |
| Crustacea aquatic toxicity | + | 0.6100 | 61.00% |
| Fish aquatic toxicity | + | 0.8964 | 89.64% |
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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.65% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.74% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.41% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.31% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.49% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.96% | 91.49% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.85% | 92.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.33% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.25% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.51% | 96.67% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.37% | 83.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162849083 |
| LOTUS | LTS0264768 |
| wikiData | Q105249152 |