Nimbin PP
| Internal ID | 7c59fe46-b924-45ba-b245-91c73e621c1e |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(2-hydroxy-5-oxo-2H-furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H36O11/c1-13-15(16-11-21(34)41-26(16)35)10-17-22(13)30(5)18(12-20(33)37-6)29(4)19(32)8-9-28(3,27(36)38-7)24(29)23(25(30)40-17)39-14(2)31/h8-9,11,15,17-18,23-26,35H,10,12H2,1-7H3/t15-,17-,18-,23-,24+,25-,26?,28-,29+,30-/m1/s1 |
| InChI Key | RSSKARHIVJZRLS-QVACKMKXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H36O11 |
| Molecular Weight | 572.60 g/mol |
| Exact Mass | 572.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 0.50 |
| CHEMBL2288878 |
| 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 | 99.23% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.18% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.96% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.46% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.78% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.05% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.34% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.80% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.08% | 99.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.91% | 81.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.81% | 90.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.54% | 94.33% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.60% | 87.67% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.20% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.16% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.77% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.73% | 91.07% |
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.
| Azadirachta indica |
| PubChem | 14136864 |
| LOTUS | LTS0129127 |
| wikiData | Q105244852 |