Tazettamide
| Internal ID | 2c90fc55-890d-46c1-a536-a81adb0ad17b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | N-(5'-methoxy-7-oxospiro[5H-[1,3]dioxolo[4,5-g]isochromene-8,2'-cyclohex-3-ene]-1'-yl)-N-methylformamide |
| SMILES (Canonical) | CN(C=O)C1CC(C=CC12C3=CC4=C(C=C3COC2=O)OCO4)OC |
| SMILES (Isomeric) | CN(C=O)C1CC(C=CC12C3=CC4=C(C=C3COC2=O)OCO4)OC |
| InChI | InChI=1S/C18H19NO6/c1-19(9-20)16-6-12(22-2)3-4-18(16)13-7-15-14(24-10-25-15)5-11(13)8-23-17(18)21/h3-5,7,9,12,16H,6,8,10H2,1-2H3 |
| InChI Key | LGFCSRDJBFILEF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H19NO6 |
| Molecular Weight | 345.30 g/mol |
| Exact Mass | 345.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 74.30 Ų |
| XlogP | 1.20 |
| Atomic LogP (AlogP) | 1.14 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 0 |
| Rotatable Bonds | 3 |
| LGFCSRDJBFILEF-UHFFFAOYSA-N |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9615 | 96.15% |
| Caco-2 | + | 0.7062 | 70.62% |
| Blood Brain Barrier | + | 0.6000 | 60.00% |
| Human oral bioavailability | - | 0.6000 | 60.00% |
| Subcellular localzation | Lysosomes | 0.4579 | 45.79% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8990 | 89.90% |
| OATP1B3 inhibitior | + | 0.9380 | 93.80% |
| MATE1 inhibitior | - | 0.9400 | 94.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | + | 0.8906 | 89.06% |
| P-glycoprotein inhibitior | - | 0.5878 | 58.78% |
| P-glycoprotein substrate | - | 0.6290 | 62.90% |
| CYP3A4 substrate | + | 0.6589 | 65.89% |
| CYP2C9 substrate | - | 0.8050 | 80.50% |
| CYP2D6 substrate | - | 0.7955 | 79.55% |
| CYP3A4 inhibition | + | 0.7585 | 75.85% |
| CYP2C9 inhibition | - | 0.6727 | 67.27% |
| CYP2C19 inhibition | - | 0.5252 | 52.52% |
| CYP2D6 inhibition | - | 0.7846 | 78.46% |
| CYP1A2 inhibition | - | 0.6414 | 64.14% |
| CYP2C8 inhibition | - | 0.8206 | 82.06% |
| CYP inhibitory promiscuity | + | 0.6897 | 68.97% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9500 | 95.00% |
| Carcinogenicity (trinary) | Non-required | 0.4520 | 45.20% |
| Eye corrosion | - | 0.9857 | 98.57% |
| Eye irritation | - | 0.9837 | 98.37% |
| Skin irritation | - | 0.7772 | 77.72% |
| Skin corrosion | - | 0.9331 | 93.31% |
| Ames mutagenesis | + | 0.5546 | 55.46% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4853 | 48.53% |
| Micronuclear | + | 0.6874 | 68.74% |
| Hepatotoxicity | + | 0.6750 | 67.50% |
| skin sensitisation | - | 0.8048 | 80.48% |
| Respiratory toxicity | + | 0.6778 | 67.78% |
| Reproductive toxicity | + | 0.8444 | 84.44% |
| Mitochondrial toxicity | + | 0.7250 | 72.50% |
| Nephrotoxicity | + | 0.6327 | 63.27% |
| Acute Oral Toxicity (c) | III | 0.6946 | 69.46% |
| Estrogen receptor binding | + | 0.8317 | 83.17% |
| Androgen receptor binding | + | 0.6465 | 64.65% |
| Thyroid receptor binding | + | 0.5557 | 55.57% |
| Glucocorticoid receptor binding | + | 0.7319 | 73.19% |
| Aromatase binding | + | 0.5955 | 59.55% |
| PPAR gamma | + | 0.7473 | 74.73% |
| Honey bee toxicity | - | 0.7205 | 72.05% |
| Biodegradation | - | 0.9250 | 92.50% |
| Crustacea aquatic toxicity | + | 0.5100 | 51.00% |
| Fish aquatic toxicity | + | 0.8913 | 89.13% |
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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.86% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.74% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 93.37% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.04% | 96.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.24% | 80.96% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.69% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.70% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.39% | 93.40% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 86.13% | 81.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.97% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.84% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.35% | 92.62% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.27% | 83.57% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.94% | 82.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.93% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.63% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.71% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.29% | 85.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.70% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.84% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.06% | 85.30% |
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 | 621439 |
| LOTUS | LTS0129036 |
| wikiData | Q105151325 |