2,20,23,27-Tetrahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),8,10,12,16,19,21,23,26-nonaene-5,18,25-trione
| Internal ID | 1f77cefb-4b76-43a1-93f0-72a18c2e4d87 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 2,20,23,27-tetrahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),8,10,12,16,19,21,23,26-nonaene-5,18,25-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H23NO8/c1-10-21-23-12-6-4-3-5-11(12)22(28(38-2)25(10)34)29(21,37)13-9-16(33)19-20(24(13)30-23)27(36)18-15(32)8-7-14(31)17(18)26(19)35/h3-10,21-23,28,30-33,37H,1-2H3 |
| InChI Key | IIRSEVBVOPNIAG-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C29H23NO8 |
| Molecular Weight | 513.50 g/mol |
| Exact Mass | 513.14236669 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 3.30 |
| DTXSID40925763 |
| 1,4,6,8-tetrahydroxy-20-methoxy-18-methyl-8,9,14,15-tetrahydro-8,14,9-(butane[1,1,4]triyl)anthra[1,2-b]benzo[f]azocine-5,16,19-trione |
![2D Structure of 2,20,23,27-Tetrahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),8,10,12,16,19,21,23,26-nonaene-5,18,25-trione](https://plantaedb.com/storage/docs/compounds/2023/11/cid-148082.jpg "2D Structure of 2,20,23,27-Tetrahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),8,10,12,16,19,21,23,26-nonaene-5,18,25-trione")
| 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 | 99.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.91% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.33% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.90% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.94% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.00% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.44% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.13% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.93% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.11% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.01% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.81% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.09% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.34% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.50% | 93.03% |
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 | 148082 |
| LOTUS | LTS0181884 |
| wikiData | Q82900193 |