[3-[4-[13-Hydroxy-9-(1-hydroxyethyl)-4,14,16,16-tetramethyl-7,11-dioxo-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecan-3-yl]-1-methoxypentyl]phenyl] acetate
| Internal ID | 23554e35-2458-4492-bf2e-afaccda392c3 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [3-[4-[13-hydroxy-9-(1-hydroxyethyl)-4,14,16,16-tetramethyl-7,11-dioxo-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecan-3-yl]-1-methoxypentyl]phenyl] acetate |
| SMILES (Canonical) | CC1CC(C23CC(C(C(O2)C(C)CCC(C4=CC(=CC=C4)OC(=O)C)OC)C)OC(=O)CC(OC(=O)CC1(O3)O)C(C)O)(C)C |
| SMILES (Isomeric) | CC1CC(C23CC(C(C(O2)C(C)CCC(C4=CC(=CC=C4)OC(=O)C)OC)C)OC(=O)CC(OC(=O)CC1(O3)O)C(C)O)(C)C |
| InChI | InChI=1S/C34H50O11/c1-19(12-13-26(40-8)24-10-9-11-25(14-24)41-23(5)36)31-21(3)28-17-34(44-31)32(6,7)16-20(2)33(39,45-34)18-30(38)42-27(22(4)35)15-29(37)43-28/h9-11,14,19-22,26-28,31,35,39H,12-13,15-18H2,1-8H3 |
| InChI Key | CRVILYQKRGJBSA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H50O11 |
| Molecular Weight | 634.80 g/mol |
| Exact Mass | 634.33531241 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [3-[4-[13-Hydroxy-9-(1-hydroxyethyl)-4,14,16,16-tetramethyl-7,11-dioxo-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecan-3-yl]-1-methoxypentyl]phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/ab7c2060-8565-11ee-9ae9-3921c84991a9.jpg "2D Structure of [3-[4-[13-Hydroxy-9-(1-hydroxyethyl)-4,14,16,16-tetramethyl-7,11-dioxo-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecan-3-yl]-1-methoxypentyl]phenyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.02% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.16% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.86% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 96.24% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.30% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.23% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.66% | 94.80% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.45% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.29% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.36% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.51% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.67% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.27% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.81% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.75% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.38% | 97.05% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.28% | 93.31% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.16% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.88% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.35% | 91.19% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.39% | 99.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.37% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.26% | 99.23% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.20% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.17% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.07% | 90.00% |
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.
| Curcuma chuanyujin |
| Curcuma mangga |
| PubChem | 74028224 |
| LOTUS | LTS0119633 |
| wikiData | Q105377517 |