Ahpatinin G
| Internal ID | 1fb1c367-ae96-464a-acfa-e10d642b7e64 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | methyl 3-hydroxy-4-[2-[[3-hydroxy-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-5-phenylpentanoyl]amino]propanoylamino]-5-phenylpentanoate |
| SMILES (Canonical) | CC(C)CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(CC(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(CC(=O)OC)O)O |
| SMILES (Isomeric) | CC(C)CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(CC(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(CC(=O)OC)O)O |
| InChI | InChI=1S/C41H61N5O9/c1-24(2)19-34(49)45-37(25(3)4)41(54)46-38(26(5)6)40(53)44-30(20-28-15-11-9-12-16-28)32(47)22-35(50)42-27(7)39(52)43-31(33(48)23-36(51)55-8)21-29-17-13-10-14-18-29/h9-18,24-27,30-33,37-38,47-48H,19-23H2,1-8H3,(H,42,50)(H,43,52)(H,44,53)(H,45,49)(H,46,54) |
| InChI Key | MFWIJLUBDHGRLX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H61N5O9 |
| Molecular Weight | 767.90 g/mol |
| Exact Mass | 767.44692854 g/mol |
| Topological Polar Surface Area (TPSA) | 212.00 Ų |
| XlogP | 3.90 |
| 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 | 99.87% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.69% | 90.20% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.20% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.46% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.50% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.24% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.21% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.28% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.28% | 98.75% |
| CHEMBL3308 | P55212 | Caspase-6 | 88.69% | 97.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.25% | 95.56% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 84.33% | 87.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.63% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.35% | 94.73% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.27% | 89.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.14% | 85.14% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.94% | 93.04% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.75% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.69% | 93.56% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.61% | 97.06% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.58% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 80.33% | 97.50% |
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.
| Argemone ochroleuca |
| Bocconia frutescens |
| Chelidonium majus |
| Glaucium fimbrilligerum |
| Hylomecon japonica |
| PubChem | 139589299 |
| LOTUS | LTS0097922 |
| wikiData | Q105232860 |