Iizlikhgmwghpv-obrbypsjsa-
Internal ID | b58c10a8-acb1-4c9a-8fad-4b8d4eb7092e |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
IUPAC Name | 2-[(3S,6S,9S,12S,21S,24S,27S)-9,21-bis[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-24-(2-methylpropyl)-2,5,8,11,17,20,23,26-octaoxo-1,4,7,10,16,19,22,25-octazatricyclo[25.3.0.012,16]triacontan-3-yl]acetamide |
SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NCC(=O)N3CCCC3C(=O)N1)C(C)CC)CC(C)C)CC(=O)N)CC4=CNC5=CC=CC=C54 |
SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N1)[C@@H](C)CC)CC(C)C)CC(=O)N)CC4=CNC5=CC=CC=C54 |
InChI | InChI=1S/C45H66N10O9/c1-7-25(5)37-43(62)48-23-36(57)54-17-11-15-33(54)42(61)53-38(26(6)8-2)44(63)50-31(20-27-22-47-29-14-10-9-13-28(27)29)39(58)51-32(21-35(46)56)45(64)55-18-12-16-34(55)41(60)49-30(19-24(3)4)40(59)52-37/h9-10,13-14,22,24-26,30-34,37-38,47H,7-8,11-12,15-21,23H2,1-6H3,(H2,46,56)(H,48,62)(H,49,60)(H,50,63)(H,51,58)(H,52,59)(H,53,61)/t25-,26-,30-,31-,32-,33-,34-,37-,38-/m0/s1 |
InChI Key | IIZLIKHGMWGHPV-OBRBYPSJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C45H66N10O9 |
Molecular Weight | 891.10 g/mol |
Exact Mass | 890.50142372 g/mol |
Topological Polar Surface Area (TPSA) | 274.00 Ų |
XlogP | 2.30 |
InChI=1/C45H66N10O9/c1-7-25(5)37-43(62)48-23-36(57)54-17-11-15-33(54)42(61)53-38(26(6)8-2)44(63)50-31(20-27-22-47-29-14-10-9-13-28(27)29)39(58)51-32(21-35(46)56)45(64)55-18-12-16-34(55)41(60)49-30(19-24(3)4)40(59)52-37/h9-10,13-14,22,24-26,30-34,37-38,47H |
![2D Structure of Iizlikhgmwghpv-obrbypsjsa- 2D Structure of Iizlikhgmwghpv-obrbypsjsa-](https://plantaedb.com/storage/docs/compounds/2023/11/iizlikhgmwghpv-obrbypsjsa-.jpg)
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 | 99.47% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.06% | 96.09% |
CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 98.89% | 96.31% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.59% | 95.56% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.34% | 90.08% |
CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.82% | 88.56% |
CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 94.68% | 83.10% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.21% | 97.09% |
CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.41% | 97.64% |
CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 91.99% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.07% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.04% | 89.00% |
CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 89.82% | 92.12% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.49% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.47% | 94.45% |
CHEMBL2443 | P49862 | Kallikrein 7 | 88.89% | 94.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.53% | 93.03% |
CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.11% | 92.97% |
CHEMBL4071 | P08311 | Cathepsin G | 86.83% | 94.64% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.83% | 82.38% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.61% | 97.25% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.60% | 90.17% |
CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 85.93% | 99.09% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.90% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.67% | 99.23% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.17% | 94.75% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.11% | 89.62% |
CHEMBL2535 | P11166 | Glucose transporter | 83.82% | 98.75% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 82.87% | 95.62% |
CHEMBL228 | P31645 | Serotonin transporter | 82.56% | 95.51% |
CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.39% | 94.66% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 82.22% | 96.69% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.05% | 99.18% |
CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.50% | 95.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.30% | 90.00% |
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.
Brachystemma calycinum |
PubChem | 11147317 |
LOTUS | LTS0174414 |
wikiData | Q105113848 |