(1R,17S,18S)-12-hydroxy-20-methoxy-8,8-dimethyl-17-prop-1-en-2-yl-3,9,23-trioxahexacyclo[16.4.1.01,18.02,15.04,13.05,10]tricosa-2(15),4(13),5(10),6,11,20-hexaene-14,19,22-trione
| Internal ID | abef6659-d12b-4862-9a3c-0c6cf0d18043 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (1R,17S,18S)-12-hydroxy-20-methoxy-8,8-dimethyl-17-prop-1-en-2-yl-3,9,23-trioxahexacyclo[16.4.1.01,18.02,15.04,13.05,10]tricosa-2(15),4(13),5(10),6,11,20-hexaene-14,19,22-trione |
| SMILES (Canonical) | CC(=C)C1CC2=C(C34C1(O3)C(=O)C(=CC4=O)OC)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC2=C([C@]34[C@]1(O3)C(=O)C(=CC4=O)OC)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O |
| InChI | InChI=1S/C26H22O8/c1-11(2)14-8-13-20(29)19-15(27)9-16-12(6-7-24(3,4)33-16)21(19)32-23(13)26-18(28)10-17(31-5)22(30)25(14,26)34-26/h6-7,9-10,14,27H,1,8H2,2-5H3/t14-,25+,26+/m0/s1 |
| InChI Key | BCNDPBNHKWLRER-RIJACFPQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H22O8 |
| Molecular Weight | 462.40 g/mol |
| Exact Mass | 462.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1R,17S,18S)-12-hydroxy-20-methoxy-8,8-dimethyl-17-prop-1-en-2-yl-3,9,23-trioxahexacyclo[16.4.1.01,18.02,15.04,13.05,10]tricosa-2(15),4(13),5(10),6,11,20-hexaene-14,19,22-trione](https://plantaedb.com/storage/docs/compounds/2023/11/5ecff940-8584-11ee-8c2c-5bba77463986.jpg "2D Structure of (1R,17S,18S)-12-hydroxy-20-methoxy-8,8-dimethyl-17-prop-1-en-2-yl-3,9,23-trioxahexacyclo[16.4.1.01,18.02,15.04,13.05,10]tricosa-2(15),4(13),5(10),6,11,20-hexaene-14,19,22-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 | 99.89% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.21% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.99% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.88% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.27% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.15% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.13% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.25% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.21% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.53% | 86.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.42% | 85.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.97% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.94% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.46% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.91% | 98.75% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.29% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.51% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.49% | 97.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.46% | 80.96% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.81% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.21% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.20% | 93.99% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.63% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.92% | 90.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.72% | 96.00% |
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.
| Artocarpus altilis |
| PubChem | 163031841 |
| LOTUS | LTS0190418 |
| wikiData | Q104923516 |