8-[4-[4-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxy-5,6-dimethyloxan-2-yl]-3-hydroxypentan-2-yl]-20-hydroxy-9-methoxy-1,3,13-trimethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]icosa-2,4,10,12-tetraen-6-one
| Internal ID | 9c44d046-fade-433b-adb3-4ad64bdae40e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 8-[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxy-5,6-dimethyloxan-2-yl]-3-hydroxypentan-2-yl]-20-hydroxy-9-methoxy-1,3,13-trimethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]icosa-2,4,10,12-tetraen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H72O13/c1-11-12-13-16-34-32-20-25(2)15-14-17-35(51-10)41(56-37(46)19-18-26(3)22-43(9,42(32)49)53-24-52-34)28(5)39(47)29(6)44(50)23-36(27(4)30(7)57-44)55-38-21-33(45)40(48)31(8)54-38/h14-15,17-19,22,27-36,38-42,45,47-50H,11-13,16,20-21,23-24H2,1-10H3 |
| InChI Key | AUNKVZMKKDTMQP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H72O13 |
| Molecular Weight | 809.00 g/mol |
| Exact Mass | 808.49729235 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 8-[4-[4-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxy-5,6-dimethyloxan-2-yl]-3-hydroxypentan-2-yl]-20-hydroxy-9-methoxy-1,3,13-trimethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]icosa-2,4,10,12-tetraen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/da042f60-878f-11ee-82c6-5dd344423588.jpg "2D Structure of 8-[4-[4-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxy-5,6-dimethyloxan-2-yl]-3-hydroxypentan-2-yl]-20-hydroxy-9-methoxy-1,3,13-trimethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]icosa-2,4,10,12-tetraen-6-one")
| 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 | 98.63% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.61% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.73% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.92% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.72% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.42% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.06% | 97.79% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.04% | 96.38% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.92% | 94.80% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.81% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.51% | 94.45% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.15% | 95.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.82% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.40% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.31% | 96.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.89% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.66% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.00% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.99% | 97.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.51% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.19% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.02% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.67% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.27% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.93% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.88% | 99.17% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.34% | 97.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.05% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.76% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.49% | 92.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.80% | 95.89% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.66% | 95.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.49% | 96.77% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.43% | 97.29% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.20% | 96.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.51% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.54% | 95.50% |
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 | 76198193 |
| LOTUS | LTS0075413 |
| wikiData | Q103816443 |