Fendlerin D
| Internal ID | 8c5fde34-d2a6-4025-a6b1-8407cf9c55ee |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | (3R)-4-[(4aR,6aS,10aS,10bS)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydronaphtho[2,1-d][1,3]dioxin-3-yl]-5-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-3,7-dimethoxy-6-methyl-3H-2-benzofuran-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H64O8/c1-24-32(45-10)30-29(35(46-11)49-34(30)43)31(33(24)47-22-27-39(6)18-12-16-37(2,3)25(39)14-20-41(27,8)44)36-48-23-28-40(7)19-13-17-38(4,5)26(40)15-21-42(28,9)50-36/h25-28,35-36,44H,12-23H2,1-11H3/t25-,26-,27+,28+,35+,36?,39-,40-,41+,42+/m0/s1 |
| InChI Key | DDRZMJBEQHWAGT-XSSXHYASSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H64O8 |
| Molecular Weight | 697.00 g/mol |
| Exact Mass | 696.46011900 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.79% | 97.25% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 97.23% | 92.98% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.58% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 95.25% | 96.43% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.89% | 93.99% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.32% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.48% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.32% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.08% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.16% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.83% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.47% | 91.07% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.85% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.83% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.66% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.57% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.19% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.07% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.50% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.75% | 99.18% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.59% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.67% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.67% | 82.69% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.14% | 86.92% |
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 | 146683469 |
| LOTUS | LTS0096396 |
| wikiData | Q104976784 |