(1R,2S,5R,6S,8R,9R,10R,12S,15R,16S,25S,27R,28S)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-triol
| Internal ID | 796fc1d8-35f1-4717-bf7e-eaace11a2609 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1R,2S,5R,6S,8R,9R,10R,12S,15R,16S,25S,27R,28S)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H45NO6/c1-16(2)28-27(39)31-37(44-31)23(42-28)11-12-33(6)34(7)19(10-13-35(33,37)40)29-25-24-21(38-30(25)34)9-8-18-14-17(3)20-15-22(32(4,5)43-29)36(20,41)26(18)24/h8-9,19-20,22-23,27-29,31,38-41H,1,3,10-15H2,2,4-7H3/t19-,20+,22+,23+,27-,28-,29-,31-,33-,34-,35-,36+,37+/m1/s1 |
| InChI Key | LTCFBVUSILPMGG-FBHVUUNASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H45NO6 |
| Molecular Weight | 599.80 g/mol |
| Exact Mass | 599.32468816 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1R,2S,5R,6S,8R,9R,10R,12S,15R,16S,25S,27R,28S)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-triol](https://plantaedb.com/storage/docs/compounds/2023/11/d5728fd0-8608-11ee-9475-53448b07b91e.jpg "2D Structure of (1R,2S,5R,6S,8R,9R,10R,12S,15R,16S,25S,27R,28S)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.35% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.10% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.86% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.75% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 96.70% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.49% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.84% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.81% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.49% | 94.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.07% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.41% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.17% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.82% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.18% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.89% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.57% | 82.69% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.33% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.76% | 94.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.69% | 88.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.64% | 98.95% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.62% | 97.50% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.40% | 96.39% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.35% | 94.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.23% | 97.31% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.11% | 91.03% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 81.99% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.63% | 95.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.14% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.79% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.42% | 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 | 163195196 |
| LOTUS | LTS0073314 |
| wikiData | Q105156879 |