22-Chloro-16,17,34,34-tetramethyl-25-methylidene-11-prop-1-en-2-yl-2,8,12,33-tetraoxa-19-azadecacyclo[26.4.2.03,17.06,16.07,9.07,13.018,32.020,31.023,30.026,29]tetratriaconta-18(32),20,22,30-tetraene-3,10,29-triol
| Internal ID | a0369a23-7fbc-4bef-9554-6eaccab376b4 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 22-chloro-16,17,34,34-tetramethyl-25-methylidene-11-prop-1-en-2-yl-2,8,12,33-tetraoxa-19-azadecacyclo[26.4.2.03,17.06,16.07,9.07,13.018,32.020,31.023,30.026,29]tetratriaconta-18(32),20,22,30-tetraene-3,10,29-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H44ClNO7/c1-15(2)28-27(40)30-37(44-30)21-8-11-35(41)34(7,33(21,6)10-9-23(37)43-28)29-25-24-20(39-29)14-19(38)17-12-16(3)18-13-22(36(18,42)26(17)24)32(4,5)45-31(25)46-35/h14,18,21-23,27-28,30-31,39-42H,1,3,8-13H2,2,4-7H3 |
| InChI Key | OKHUUWADPPXCOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H44ClNO7 |
| Molecular Weight | 650.20 g/mol |
| Exact Mass | 649.2806304 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 22-Chloro-16,17,34,34-tetramethyl-25-methylidene-11-prop-1-en-2-yl-2,8,12,33-tetraoxa-19-azadecacyclo[26.4.2.03,17.06,16.07,9.07,13.018,32.020,31.023,30.026,29]tetratriaconta-18(32),20,22,30-tetraene-3,10,29-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2dfb8b50-8629-11ee-9c58-9713c5850fef.jpg "2D Structure of 22-Chloro-16,17,34,34-tetramethyl-25-methylidene-11-prop-1-en-2-yl-2,8,12,33-tetraoxa-19-azadecacyclo[26.4.2.03,17.06,16.07,9.07,13.018,32.020,31.023,30.026,29]tetratriaconta-18(32),20,22,30-tetraene-3,10,29-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 | 99.26% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.26% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.33% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.03% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.67% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.47% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.25% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.99% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.11% | 96.21% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 91.64% | 89.44% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.31% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.56% | 95.88% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.34% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.01% | 92.98% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.92% | 85.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.61% | 89.05% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.92% | 97.31% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.76% | 96.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.04% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.09% | 92.94% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.01% | 85.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.88% | 94.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.34% | 97.50% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 82.30% | 92.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.49% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.11% | 88.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.08% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.85% | 100.00% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 80.67% | 95.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.41% | 96.61% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.29% | 94.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.16% | 82.69% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.10% | 94.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.10% | 97.14% |
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 | 162816061 |
| LOTUS | LTS0086132 |
| wikiData | Q104193449 |