Acyclolaxaphycin A
| Internal ID | c68efc2c-43a9-417f-9ddf-cf9644988102 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[[(2S)-2-[[(2R,3S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,4R)-1-[(E)-2-[[(2S)-2-[[(3R)-3-aminooctanoyl]amino]-4-hydroxybutanoyl]amino]but-2-enoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H99N11O15/c1-11-15-17-22-39(61)30-48(75)63-42(23-25-72)53(79)64-41(14-4)60(86)71-33-40(74)31-47(71)57(83)65-43(24-26-73)54(80)67-46(29-38-20-18-16-19-21-38)55(81)66-45(28-35(7)8)56(82)69-51(37(10)13-3)59(85)70-50(36(9)12-2)58(84)68-44(27-34(5)6)52(78)62-32-49(76)77/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33,61H2,1-10H3,(H,62,78)(H,63,75)(H,64,79)(H,65,83)(H,66,81)(H,67,80)(H,68,84)(H,69,82)(H,70,85)(H,76,77)/b41-14+/t36-,37-,39+,40+,42-,43-,44-,45+,46+,47-,50+,51-/m0/s1 |
| InChI Key | WSDZDIHEDAEEBI-NZVCJXAPSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C60H99N11O15 |
| Molecular Weight | 1214.50 g/mol |
| Exact Mass | 1213.73221149 g/mol |
| Topological Polar Surface Area (TPSA) | 406.00 Ų |
| XlogP | 1.20 |
| 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 | 99.98% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.36% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.49% | 96.09% |
| CHEMBL4801 | P29466 | Caspase-1 | 97.91% | 96.85% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.71% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.56% | 99.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.49% | 98.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 97.01% | 97.21% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.80% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.53% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.91% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.68% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.44% | 89.63% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.25% | 97.64% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 95.11% | 91.19% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 94.55% | 97.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.47% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.68% | 97.14% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.39% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.32% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.05% | 97.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.82% | 92.08% |
| CHEMBL3891 | P07384 | Calpain 1 | 91.23% | 93.04% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 90.74% | 96.67% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 90.36% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.25% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.65% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.08% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.81% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.35% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.27% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.07% | 90.20% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.41% | 90.24% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 86.16% | 88.42% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 86.09% | 97.50% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 84.88% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.80% | 91.71% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.76% | 98.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.49% | 95.89% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 84.15% | 89.33% |
| CHEMBL5028 | O14672 | ADAM10 | 84.01% | 97.50% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.45% | 96.37% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.79% | 96.90% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.66% | 87.45% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.06% | 97.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.00% | 94.08% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 80.97% | 88.33% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.85% | 94.23% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.61% | 95.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.22% | 97.29% |
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 | 146682308 |
| LOTUS | LTS0098323 |
| wikiData | Q105311800 |