7,15,19,25,26-Pentahydroxy-9,17-dimethoxy-3-methyl-4,22-dioxaheptacyclo[14.10.2.02,15.03,12.06,11.020,28.023,27]octacosa-1(26),6(11),7,9,12,16,18,20(28),23(27),24-decaene-5,14,21-trione
| Internal ID | ea5ba3a3-7c02-479a-ac8d-1fa2787ea7df |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 7,15,19,25,26-pentahydroxy-9,17-dimethoxy-3-methyl-4,22-dioxaheptacyclo[14.10.2.02,15.03,12.06,11.020,28.023,27]octacosa-1(26),6(11),7,9,12,16,18,20(28),23(27),24-decaene-5,14,21-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H20O12/c1-28-11(10-4-9(38-2)5-12(30)18(10)27(36)41-28)6-17(33)29(37)23-16(39-3)7-13(31)19-21(23)20-15(40-26(19)35)8-14(32)24(34)22(20)25(28)29/h4-8,25,30-32,34,37H,1-3H3 |
| InChI Key | CEKWTIRZBYIWGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H20O12 |
| Molecular Weight | 560.50 g/mol |
| Exact Mass | 560.09547607 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 7,15,19,25,26-Pentahydroxy-9,17-dimethoxy-3-methyl-4,22-dioxaheptacyclo[14.10.2.02,15.03,12.06,11.020,28.023,27]octacosa-1(26),6(11),7,9,12,16,18,20(28),23(27),24-decaene-5,14,21-trione](https://plantaedb.com/storage/docs/compounds/2023/11/b41bcac0-8527-11ee-90da-15c4c4a20ae7.jpg "2D Structure of 7,15,19,25,26-Pentahydroxy-9,17-dimethoxy-3-methyl-4,22-dioxaheptacyclo[14.10.2.02,15.03,12.06,11.020,28.023,27]octacosa-1(26),6(11),7,9,12,16,18,20(28),23(27),24-decaene-5,14,21-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 | 99.70% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.43% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.65% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.52% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.73% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.60% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.46% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.44% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.21% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.26% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.56% | 97.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.20% | 94.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.86% | 90.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.74% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.73% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.30% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.18% | 97.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.46% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.21% | 92.62% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.03% | 96.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.08% | 93.99% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.93% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.61% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.28% | 90.20% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.32% | 83.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.20% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.93% | 96.38% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.92% | 93.18% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.37% | 96.09% |
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 | 163084966 |
| LOTUS | LTS0084205 |
| wikiData | Q103817653 |