Neocitreamicin I
| Internal ID | 6046393d-aa19-4a65-bf71-d42cbe648600 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (3,24-dihydroxy-7,10-dimethyl-5,8,18,27,29-pentaoxo-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21(26),22,24-nonaen-7-yl)methyl 2,4-dimethylpentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H31NO11/c1-15(2)10-16(3)33(44)46-14-35(4)34(45)48-36(5)13-18-11-17-6-8-20-25(23(17)29(41)24(18)32(43)37(35)36)30(42)26-27(39)21-12-19(38)7-9-22(21)47-31(26)28(20)40/h6-9,11-12,15-16,38,41H,10,13-14H2,1-5H3 |
| InChI Key | UNURHVILKZGABN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H31NO11 |
| Molecular Weight | 653.60 g/mol |
| Exact Mass | 653.18971080 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 5.80 |
| SCHEMBL13786425 |
| 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 | 99.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.27% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.90% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.92% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.61% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.62% | 99.23% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.80% | 95.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.85% | 91.49% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.35% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.30% | 94.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.84% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.53% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.39% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.96% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.28% | 89.50% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.17% | 94.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.86% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.92% | 99.15% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.82% | 99.35% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.74% | 96.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.73% | 94.73% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.96% | 95.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.82% | 95.89% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.86% | 85.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.86% | 99.17% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.19% | 95.34% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.85% | 90.93% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.49% | 96.25% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.39% | 83.10% |
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.
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| There are no matching plants. |
| PubChem | 25015072 |
| LOTUS | LTS0229414 |
| wikiData | Q77279045 |