Luteic acid
| Internal ID | c2213ac3-fded-41f2-b091-5135fe114f1a |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 3,4,8,9,10-pentahydroxy-6-oxobenzo[c]chromene-1-carboxylic acid |
| SMILES (Canonical) | C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)O)O)O)OC2=O |
| SMILES (Isomeric) | C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)O)O)O)OC2=O |
| InChI | InChI=1S/C14H8O9/c15-5-2-4-7(11(19)9(5)17)8-3(13(20)21)1-6(16)10(18)12(8)23-14(4)22/h1-2,15-19H,(H,20,21) |
| InChI Key | FLZGFQFYDGHWLR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H8O9 |
| Molecular Weight | 320.21 g/mol |
| Exact Mass | 320.01683183 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 0.80 |
| Atomic LogP (AlogP) | 1.17 |
| H-Bond Acceptor | 8 |
| H-Bond Donor | 6 |
| Rotatable Bonds | 1 |
| B54CJS6VNV |
| 6H-Dibenzo(b,d)pyran-1-carboxylic acid, 3,4,8,9,10-pentahydroxy-6-oxo- |
| DTXSID90197216 |
| Luteate |
| 3,4,8,9,10-Pentahydroxy-6-oxo-6H-benzo(c)chromene-1-carboxylate |
| 3,4,8,9,10-Pentahydroxy-6-oxo-6H-benzo[c]chromene-1-carboxylate |
| RefChem:154376 |
| DTXCID00119707 |
| Luteolic acid |
| 476-67-5 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.7019 | 70.19% |
| Caco-2 | - | 0.9021 | 90.21% |
| Blood Brain Barrier | - | 0.8250 | 82.50% |
| Human oral bioavailability | + | 0.7286 | 72.86% |
| Subcellular localzation | Mitochondria | 0.5223 | 52.23% |
| OATP2B1 inhibitior | - | 0.6566 | 65.66% |
| OATP1B1 inhibitior | + | 0.9158 | 91.58% |
| OATP1B3 inhibitior | + | 0.9598 | 95.98% |
| MATE1 inhibitior | - | 0.8600 | 86.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.9142 | 91.42% |
| P-glycoprotein inhibitior | - | 0.9612 | 96.12% |
| P-glycoprotein substrate | - | 0.9386 | 93.86% |
| CYP3A4 substrate | - | 0.6661 | 66.61% |
| CYP2C9 substrate | - | 0.8114 | 81.14% |
| CYP2D6 substrate | - | 0.8805 | 88.05% |
| CYP3A4 inhibition | - | 0.7977 | 79.77% |
| CYP2C9 inhibition | - | 0.8827 | 88.27% |
| CYP2C19 inhibition | - | 0.9585 | 95.85% |
| CYP2D6 inhibition | - | 0.9659 | 96.59% |
| CYP1A2 inhibition | - | 0.6816 | 68.16% |
| CYP2C8 inhibition | - | 0.6799 | 67.99% |
| CYP inhibitory promiscuity | - | 0.9170 | 91.70% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 1.0000 | 100.00% |
| Carcinogenicity (trinary) | Non-required | 0.7137 | 71.37% |
| Eye corrosion | - | 0.9917 | 99.17% |
| Eye irritation | + | 0.9426 | 94.26% |
| Skin irritation | + | 0.5558 | 55.58% |
| Skin corrosion | - | 0.9359 | 93.59% |
| Ames mutagenesis | - | 0.5970 | 59.70% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8247 | 82.47% |
| Micronuclear | + | 0.9300 | 93.00% |
| Hepatotoxicity | + | 0.7500 | 75.00% |
| skin sensitisation | - | 0.7732 | 77.32% |
| Respiratory toxicity | + | 0.7778 | 77.78% |
| Reproductive toxicity | + | 0.7111 | 71.11% |
| Mitochondrial toxicity | + | 0.6375 | 63.75% |
| Nephrotoxicity | - | 0.8338 | 83.38% |
| Acute Oral Toxicity (c) | II | 0.4912 | 49.12% |
| Estrogen receptor binding | - | 0.5362 | 53.62% |
| Androgen receptor binding | + | 0.6973 | 69.73% |
| Thyroid receptor binding | - | 0.7380 | 73.80% |
| Glucocorticoid receptor binding | + | 0.7810 | 78.10% |
| Aromatase binding | - | 0.5832 | 58.32% |
| PPAR gamma | + | 0.7416 | 74.16% |
| Honey bee toxicity | - | 0.9389 | 93.89% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | - | 0.7000 | 70.00% |
| Fish aquatic toxicity | + | 0.9525 | 95.25% |
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 | 99.02% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.67% | 89.34% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.04% | 94.42% |
| CHEMBL3194 | P02766 | Transthyretin | 92.43% | 90.71% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.71% | 81.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.50% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.39% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.18% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.85% | 94.45% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 88.68% | 87.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.55% | 99.15% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.06% | 83.57% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 85.11% | 95.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.28% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.12% | 89.00% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 82.77% | 91.79% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.07% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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