AH-758
| Internal ID | 394ea94f-f2db-42a3-b6a2-f1a6a62f5baf |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 4-O-[2-[3-hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] 1-O-[(2-oxo-1,3-dihydropyrrol-5-yl)methyl] (E)-but-2-enedioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H67NO13/c1-25(2)42-30(7)36(57-39(49)19-18-38(48)56-24-33-16-17-37(47)46-33)23-45(55-12,59-42)32(9)41(51)31(8)43-34(53-10)15-13-14-26(3)20-28(5)40(50)29(6)21-27(4)22-35(54-11)44(52)58-43/h13-16,18-19,21-22,25,28-32,34,36,40-43,50-51H,17,20,23-24H2,1-12H3,(H,46,47)/b15-13+,19-18+,26-14+,27-21+,35-22- |
| InChI Key | DHGOLDVSUHASSH-HFZALEEASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C45H67NO13 |
| Molecular Weight | 830.00 g/mol |
| Exact Mass | 829.46124119 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 5.90 |
| 4-O-[2-[3-Hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] 1-O-[(2-oxo-1,3-dihydropyrrol-5-yl)methyl] (E)-but-2-enedioate |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.88% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.66% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.44% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.63% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.36% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.58% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.07% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.34% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.13% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.46% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.15% | 96.77% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.91% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.24% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.86% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.48% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.56% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.35% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.34% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.25% | 91.19% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.18% | 97.05% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.49% | 90.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.10% | 96.61% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.86% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.28% | 99.17% |
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 | 10463186 |
| LOTUS | LTS0238907 |
| wikiData | Q77521721 |