(20E)-4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol
| Internal ID | 821e54fe-79ab-4301-a366-22a26c722713 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (20E)-4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol |
| SMILES (Canonical) | COC1=C2C=C(CCC3=C(C(=C(C=C3C4=CC(=C(C=CC5=CC2=C(C(=C5)Cl)O)C(=C4O)Cl)Cl)Cl)O)Cl)C=C1 |
| SMILES (Isomeric) | COC1=C2C=C(CCC3=C(C(=C(C=C3C4=CC(=C(/C=C/C5=CC2=C(C(=C5)Cl)O)C(=C4O)Cl)Cl)Cl)O)Cl)C=C1 |
| InChI | InChI=1S/C29H19Cl5O4/c1-38-24-7-4-13-2-5-15-17(11-23(32)29(37)25(15)33)20-12-21(30)16(26(34)28(20)36)6-3-14-9-19(18(24)8-13)27(35)22(31)10-14/h3-4,6-12,35-37H,2,5H2,1H3/b6-3+ |
| InChI Key | ASWYDFIYBFEIEB-ZZXKWVIFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H19Cl5O4 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 607.969647 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 9.90 |
| There are no found synonyms. |
![2D Structure of (20E)-4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol](https://plantaedb.com/storage/docs/compounds/2023/11/14fbd590-85d1-11ee-84e9-559c10ac3444.jpg "2D Structure of (20E)-4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol")
| 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 | 98.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.39% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.90% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.38% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.59% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.26% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.59% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.42% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.68% | 91.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.67% | 95.34% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.41% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.23% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.42% | 95.50% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 82.57% | 91.79% |
| CHEMBL3194 | P02766 | Transthyretin | 82.49% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.08% | 90.20% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.99% | 90.24% |
| CHEMBL3116 | P50750 | Cyclin-dependent kinase 9 | 81.86% | 96.31% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.81% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.71% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.42% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.23% | 89.62% |
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.
| Lepidozia incurvata |
| PubChem | 101263414 |
| LOTUS | LTS0206457 |
| wikiData | Q104918147 |