Fluostatin N
| Internal ID | 9fa37328-d270-4e5a-b8a6-c65bf0325e22 |
| Taxonomy | Benzenoids > Fluorenes |
| IUPAC Name | (1R,2R,3R,4S)-1,2,4,6-tetrahydroxy-7-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]fluoren-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H18O6/c1-7-16(21)9-6-10(20)14-12-8(4-3-5-11(12)25-2)18(23)15(14)13(9)19(24)17(7)22/h3-7,16-17,19-22,24H,1-2H3/t7-,16+,17-,19-/m1/s1 |
| InChI Key | RJFZDOXRXVVKBY-RPKRUUSYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 0.90 |
| Atomic LogP (AlogP) | 1.69 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 1 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9757 | 97.57% |
| Caco-2 | - | 0.7019 | 70.19% |
| Blood Brain Barrier | - | 0.6250 | 62.50% |
| Human oral bioavailability | + | 0.7429 | 74.29% |
| Subcellular localzation | Mitochondria | 0.7019 | 70.19% |
| OATP2B1 inhibitior | - | 0.7149 | 71.49% |
| OATP1B1 inhibitior | + | 0.9135 | 91.35% |
| OATP1B3 inhibitior | + | 0.9595 | 95.95% |
| MATE1 inhibitior | - | 0.9200 | 92.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.6396 | 63.96% |
| P-glycoprotein inhibitior | - | 0.8043 | 80.43% |
| P-glycoprotein substrate | - | 0.5846 | 58.46% |
| CYP3A4 substrate | + | 0.5900 | 59.00% |
| CYP2C9 substrate | - | 0.5916 | 59.16% |
| CYP2D6 substrate | - | 0.7588 | 75.88% |
| CYP3A4 inhibition | + | 0.5540 | 55.40% |
| CYP2C9 inhibition | - | 0.7602 | 76.02% |
| CYP2C19 inhibition | - | 0.6176 | 61.76% |
| CYP2D6 inhibition | - | 0.8018 | 80.18% |
| CYP1A2 inhibition | + | 0.9287 | 92.87% |
| CYP2C8 inhibition | - | 0.5943 | 59.43% |
| CYP inhibitory promiscuity | + | 0.5841 | 58.41% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.9200 | 92.00% |
| Carcinogenicity (trinary) | Non-required | 0.5260 | 52.60% |
| Eye corrosion | - | 0.9813 | 98.13% |
| Eye irritation | - | 0.7272 | 72.72% |
| Skin irritation | - | 0.5477 | 54.77% |
| Skin corrosion | - | 0.8983 | 89.83% |
| Ames mutagenesis | + | 0.7200 | 72.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6708 | 67.08% |
| Micronuclear | + | 0.8300 | 83.00% |
| Hepatotoxicity | + | 0.5500 | 55.00% |
| skin sensitisation | - | 0.7640 | 76.40% |
| Respiratory toxicity | + | 0.5889 | 58.89% |
| Reproductive toxicity | + | 0.7111 | 71.11% |
| Mitochondrial toxicity | + | 0.6250 | 62.50% |
| Nephrotoxicity | + | 0.6800 | 68.00% |
| Acute Oral Toxicity (c) | III | 0.5795 | 57.95% |
| Estrogen receptor binding | + | 0.7001 | 70.01% |
| Androgen receptor binding | + | 0.6346 | 63.46% |
| Thyroid receptor binding | + | 0.5142 | 51.42% |
| Glucocorticoid receptor binding | + | 0.8401 | 84.01% |
| Aromatase binding | + | 0.6382 | 63.82% |
| PPAR gamma | + | 0.6528 | 65.28% |
| Honey bee toxicity | - | 0.8286 | 82.86% |
| Biodegradation | - | 0.8750 | 87.50% |
| Crustacea aquatic toxicity | - | 0.5600 | 56.00% |
| Fish aquatic toxicity | + | 0.9675 | 96.75% |
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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.47% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.50% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.88% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.62% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.75% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.19% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.29% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.97% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.28% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.88% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.59% | 96.86% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.14% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.11% | 86.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.62% | 94.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.11% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.74% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.68% | 82.69% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.35% | 91.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.44% | 96.67% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.90% | 100.00% |
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 | 139590585 |
| LOTUS | LTS0007683 |
| wikiData | Q105237447 |