Neomacrophorin X
| Internal ID | a88b0b27-98e9-4f6f-aecb-fa53b4370266 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | (1R,10R,18R,19R)-13-[[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-4,12,18,19-tetrahydroxy-6-methylpentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,6,11(16),12,20-hexaene-2,9,14,15-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H40O9/c1-16-12-18-26(23(39)13-16)33(46)37-15-20-27(36(37,31(18)44)11-8-22(38)32(37)45)28(41)19(29(42)30(20)43)14-21-17(2)6-7-24-34(3,4)25(40)9-10-35(21,24)5/h8,11-13,21-22,24-25,32,38-41,45H,2,6-7,9-10,14-15H2,1,3-5H3/t21-,22+,24-,25+,32-,35+,36-,37+/m0/s1 |
| InChI Key | SVRNHNGOEMOBSK-ZICMRHECSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H40O9 |
| Molecular Weight | 628.70 g/mol |
| Exact Mass | 628.26723285 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.21% | 91.49% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.41% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.17% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.14% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.25% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.40% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.25% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.48% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.70% | 93.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.28% | 96.43% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.02% | 93.40% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.90% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.43% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.69% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.42% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.59% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.15% | 94.45% |
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 | 139589716 |
| LOTUS | LTS0192740 |
| wikiData | Q105262401 |