Formicamycin M
| Internal ID | fd01edac-321e-4c2e-b19f-e2ed37ec3d61 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (5aR,11aR)-10-bromo-7-(2,4-dimethoxy-6-methylphenyl)-2,4,5a-trihydroxy-9-methoxy-12,12-dimethyl-11,11a-dihydrotetracene-5,6-dione |
| SMILES (Canonical) | CC1=CC(=CC(=C1C2=CC(=C(C3=C2C(=O)C4(C(C3)C(C5=C(C4=O)C(=CC(=C5)O)O)(C)C)O)Br)OC)OC)OC |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C2=CC(=C(C3=C2C(=O)[C@@]4([C@H](C3)C(C5=C(C4=O)C(=CC(=C5)O)O)(C)C)O)Br)OC)OC)OC |
| InChI | InChI=1S/C30H29BrO8/c1-13-7-15(37-4)10-20(38-5)23(13)16-11-21(39-6)26(31)17-12-22-29(2,3)18-8-14(32)9-19(33)25(18)28(35)30(22,36)27(34)24(16)17/h7-11,22,32-33,36H,12H2,1-6H3/t22-,30-/m1/s1 |
| InChI Key | KHXIDNHTRXJJNS-YKGWIAGDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H29BrO8 |
| Molecular Weight | 597.40 g/mol |
| Exact Mass | 596.10458 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 6.20 |
| 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 | 99.28% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.79% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.26% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.06% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.03% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.79% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.47% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.82% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.19% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.76% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.97% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.89% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.35% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.18% | 91.07% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.70% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.47% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.16% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.49% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.60% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.60% | 97.14% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.13% | 92.68% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.87% | 91.79% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.60% | 82.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.55% | 91.19% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.24% | 91.00% |
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.
| There are no matching plants. |
| PubChem | 146684593 |
| LOTUS | LTS0197336 |
| wikiData | Q105141364 |