Rhabdoplanin D
| Internal ID | 132b47b4-1dd9-402b-91ac-d33e4322f89d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
| IUPAC Name | (2R,3S)-2-[[(2S)-1-[2-[4-[(2S,3R,4S,5R,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxyphenyl]ethenylamino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-N-(2-phenylethyl)pentanamide |
| SMILES (Canonical) | CCC(C)C(C(=O)NCCC1=CC=CC=C1)NC(CC2=CN(C3=CC=CC=C32)C)C(=O)NC=CC4=CC=C(C=C4)OC5C(C(C(C(O5)C)NC(=O)C)O)O |
| SMILES (Isomeric) | CC[C@H](C)[C@H](C(=O)NCCC1=CC=CC=C1)N[C@@H](CC2=CN(C3=CC=CC=C32)C)C(=O)NC=CC4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C)NC(=O)C)O)O |
| InChI | InChI=1S/C42H53N5O7/c1-6-26(2)36(41(52)44-23-20-29-12-8-7-9-13-29)46-34(24-31-25-47(5)35-15-11-10-14-33(31)35)40(51)43-22-21-30-16-18-32(19-17-30)54-42-39(50)38(49)37(27(3)53-42)45-28(4)48/h7-19,21-22,25-27,34,36-39,42,46,49-50H,6,20,23-24H2,1-5H3,(H,43,51)(H,44,52)(H,45,48)/t26-,27+,34-,36+,37-,38-,39+,42-/m0/s1 |
| InChI Key | XZYOJSGYAMLYFM-OGCPDWBLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C42H53N5O7 |
| Molecular Weight | 739.90 g/mol |
| Exact Mass | 739.39449905 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 4.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.78% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.77% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.86% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.16% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.90% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.71% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.87% | 99.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 93.63% | 85.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.38% | 94.73% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 93.02% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.95% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.59% | 97.21% |
| CHEMBL3837 | P07711 | Cathepsin L | 90.44% | 96.61% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.99% | 98.59% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.20% | 98.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.27% | 96.37% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.04% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.23% | 90.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.90% | 97.64% |
| CHEMBL5028 | O14672 | ADAM10 | 83.86% | 97.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.80% | 93.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.55% | 95.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.98% | 97.36% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 81.77% | 90.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.67% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.22% | 99.23% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 80.92% | 90.65% |
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 | 146682096 |
| LOTUS | LTS0213476 |
| wikiData | Q105345255 |