(1S,12S,13S,16R,18S)-5-methoxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde
| Internal ID | 1aaced69-cb7f-4cce-b305-016165230090 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (1S,12S,13S,16R,18S)-5-methoxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O5/c1-19(10-22)14-6-7-20(2)15(14)9-16-17(23)12-5-4-11(25-3)8-13(12)18(24)21(16,19)26-20/h4-5,8-10,14-15H,6-7H2,1-3H3/t14-,15-,19-,20+,21-/m0/s1 |
| InChI Key | XFCFDLBMHYILFS-CJBVTVNNSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,12S,13S,16R,18S)-5-methoxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/64d05400-8606-11ee-b1ef-7fb089726903.jpg "2D Structure of (1S,12S,13S,16R,18S)-5-methoxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde")
| 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 | 97.51% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.95% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.28% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.05% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.02% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.80% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.66% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.39% | 94.80% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.97% | 95.93% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.87% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.46% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.02% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.40% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.44% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.39% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.95% | 96.77% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.88% | 85.31% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.83% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.57% | 82.69% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.29% | 95.53% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.33% | 96.43% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.37% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.05% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.98% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.69% | 99.18% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.68% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.42% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.36% | 93.31% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.26% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.11% | 92.94% |
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.
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| There are no matching plants. |
| PubChem | 101260666 |
| LOTUS | LTS0088850 |
| wikiData | Q105326918 |