1,4,8-trihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-10H-anthracen-9-one
| Internal ID | 5a09aacc-b929-47a2-ae6b-680cef24e7f1 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 1,4,8-trihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-10H-anthracen-9-one |
| SMILES (Canonical) | CC1=CC(=C2C(=C1O)C(C3=C(C2=O)C(=CC=C3)O)C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4)O)O)O |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1O)C(C3=C(C2=O)C(=CC=C3)O)C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4)O)O)O |
| InChI | InChI=1S/C30H24O8/c1-12-8-18(32)24-25(26(12)34)22(15-4-3-5-17(31)23(15)29(24)37)16-7-6-13-9-14-10-30(2,38)11-19(33)20(14)28(36)21(13)27(16)35/h3-9,22,31-32,34-36,38H,10-11H2,1-2H3 |
| InChI Key | AQTNRXSHTHJWIF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H24O8 |
| Molecular Weight | 512.50 g/mol |
| Exact Mass | 512.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 99.44% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.57% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.13% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.68% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 94.20% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.07% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.48% | 99.23% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 89.77% | 81.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.58% | 86.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.76% | 93.18% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.47% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.07% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.42% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.37% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.86% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.85% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.76% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.63% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.15% | 92.94% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.08% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.02% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.80% | 100.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.55% | 96.67% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.82% | 95.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.78% | 100.00% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 83.47% | 93.89% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.76% | 95.69% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.71% | 97.33% |
| CHEMBL4422 | O14842 | Free fatty acid receptor 1 | 82.63% | 93.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.90% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.21% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.98% | 93.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.72% | 94.42% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.61% | 91.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.56% | 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.
To see more specific details click the taxa you are interested in.
| Bulbine abyssinica |
| PubChem | 163014221 |
| LOTUS | LTS0007233 |
| wikiData | Q104917069 |