7-Hydroxy-3-methoxyviridicatin
| Internal ID | 060f6842-5450-40ab-be58-3dd700602031 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines |
| IUPAC Name | 7-hydroxy-3-methoxy-4-phenyl-1H-quinolin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H13NO3/c1-20-15-14(10-5-3-2-4-6-10)12-8-7-11(18)9-13(12)17-16(15)19/h2-9,18H,1H3,(H,17,19) |
| InChI Key | MGBYBLWROHPRQR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.28 g/mol |
| Exact Mass | 267.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 2.30 |
| Atomic LogP (AlogP) | 2.91 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 2 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9848 | 98.48% |
| Caco-2 | - | 0.7954 | 79.54% |
| Blood Brain Barrier | + | 0.6500 | 65.00% |
| Human oral bioavailability | - | 0.5429 | 54.29% |
| Subcellular localzation | Mitochondria | 0.7468 | 74.68% |
| OATP2B1 inhibitior | - | 0.7229 | 72.29% |
| OATP1B1 inhibitior | + | 0.8958 | 89.58% |
| OATP1B3 inhibitior | + | 0.9487 | 94.87% |
| MATE1 inhibitior | - | 0.8600 | 86.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | + | 0.5918 | 59.18% |
| P-glycoprotein inhibitior | - | 0.7579 | 75.79% |
| P-glycoprotein substrate | - | 0.8908 | 89.08% |
| CYP3A4 substrate | - | 0.5156 | 51.56% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8486 | 84.86% |
| CYP3A4 inhibition | + | 0.5276 | 52.76% |
| CYP2C9 inhibition | - | 0.6025 | 60.25% |
| CYP2C19 inhibition | - | 0.5247 | 52.47% |
| CYP2D6 inhibition | - | 0.8826 | 88.26% |
| CYP1A2 inhibition | + | 0.7755 | 77.55% |
| CYP2C8 inhibition | + | 0.6473 | 64.73% |
| CYP inhibitory promiscuity | + | 0.5411 | 54.11% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.9800 | 98.00% |
| Carcinogenicity (trinary) | Non-required | 0.6604 | 66.04% |
| Eye corrosion | - | 0.9947 | 99.47% |
| Eye irritation | - | 0.5409 | 54.09% |
| Skin irritation | - | 0.8393 | 83.93% |
| Skin corrosion | - | 0.9629 | 96.29% |
| Ames mutagenesis | - | 0.6000 | 60.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6596 | 65.96% |
| Micronuclear | + | 0.7700 | 77.00% |
| Hepatotoxicity | + | 0.6500 | 65.00% |
| skin sensitisation | - | 0.9267 | 92.67% |
| Respiratory toxicity | + | 0.6111 | 61.11% |
| Reproductive toxicity | + | 0.7889 | 78.89% |
| Mitochondrial toxicity | - | 0.5625 | 56.25% |
| Nephrotoxicity | - | 0.6400 | 64.00% |
| Acute Oral Toxicity (c) | III | 0.6311 | 63.11% |
| Estrogen receptor binding | + | 0.8941 | 89.41% |
| Androgen receptor binding | + | 0.9401 | 94.01% |
| Thyroid receptor binding | + | 0.6894 | 68.94% |
| Glucocorticoid receptor binding | + | 0.8757 | 87.57% |
| Aromatase binding | + | 0.9410 | 94.10% |
| PPAR gamma | + | 0.5477 | 54.77% |
| Honey bee toxicity | - | 0.9179 | 91.79% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | + | 0.5300 | 53.00% |
| Fish aquatic toxicity | - | 0.7638 | 76.38% |
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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.21% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.27% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.58% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.47% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 92.88% | 91.71% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 92.39% | 92.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.48% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.88% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.81% | 86.33% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.74% | 94.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.87% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.55% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.37% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.05% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.59% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.11% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.78% | 85.14% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.21% | 94.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.13% | 94.75% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.59% | 98.35% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.24% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.73% | 91.79% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.31% | 99.15% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.08% | 98.21% |
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 | 139591590 |
| LOTUS | LTS0103926 |
| wikiData | Q104171666 |