Formicamycin D
| Internal ID | 27c349be-9bc1-4f29-a4d8-c9a1a218f586 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives > Chlorinated biphenyls > Polychlorinated biphenyls |
| IUPAC Name | (5aR,11aR)-1,10-dichloro-7-(3-chloro-6-hydroxy-4-methoxy-2-methylphenyl)-2,4,5a-trihydroxy-9-methoxy-12,12-dimethyl-11,11a-dihydrotetracene-5,6-dione |
| SMILES (Canonical) | CC1=C(C(=CC(=C1Cl)OC)O)C2=CC(=C(C3=C2C(=O)C4(C(C3)C(C5=C(C4=O)C(=CC(=C5Cl)O)O)(C)C)O)Cl)OC |
| SMILES (Isomeric) | CC1=C(C(=CC(=C1Cl)OC)O)C2=CC(=C(C3=C2C(=O)[C@@]4([C@H](C3)C(C5=C(C4=O)C(=CC(=C5Cl)O)O)(C)C)O)Cl)OC |
| InChI | InChI=1S/C29H25Cl3O8/c1-10-19(14(34)9-17(40-5)23(10)30)11-6-16(39-4)24(31)12-7-18-28(2,3)22-21(13(33)8-15(35)25(22)32)27(37)29(18,38)26(36)20(11)12/h6,8-9,18,33-35,38H,7H2,1-5H3/t18-,29-/m1/s1 |
| InChI Key | RRDKRMMBMWKANR-LDLUVENISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H25Cl3O8 |
| Molecular Weight | 607.90 g/mol |
| Exact Mass | 606.061501 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 7.10 |
| 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 | 99.02% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.89% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.32% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.17% | 94.75% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 92.15% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.76% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.68% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.57% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.99% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.68% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.29% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.95% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.72% | 91.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.23% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.35% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.57% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.86% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.79% | 99.15% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.56% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.15% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.06% | 89.00% |
| CHEMBL2337 | P48067 | Glycine transporter 1 | 82.55% | 95.45% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.23% | 95.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.92% | 93.03% |
| CHEMBL4805 | Q99572 | P2X purinoceptor 7 | 80.72% | 97.50% |
| CHEMBL3194 | P02766 | Transthyretin | 80.24% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.16% | 90.00% |
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 | 146684584 |
| LOTUS | LTS0046157 |
| wikiData | Q105243965 |