25-Benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide
| Internal ID | e47c3898-944e-451b-9a38-68204825b76c |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 25-benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide |
| SMILES (Canonical) | CC1CCCC(=O)C2=C(C=CC(=O)C34C(C=CC1)C(C(=C)C(C3C(NC4=O)CC5=CC=CC=C5)C)O)C6(C(C2OC)C(C6O)O)C(=O)N |
| SMILES (Isomeric) | CC1CCCC(=O)C2=C(C=CC(=O)C34C(C=CC1)C(C(=C)C(C3C(NC4=O)CC5=CC=CC=C5)C)O)C6(C(C2OC)C(C6O)O)C(=O)N |
| InChI | InChI=1S/C38H46N2O8/c1-19-10-8-14-24-31(43)21(3)20(2)29-25(18-22-12-6-5-7-13-22)40-36(47)37(24,29)27(42)17-16-23-28(26(41)15-9-11-19)33(48-4)30-32(44)34(45)38(23,30)35(39)46/h5-8,12-14,16-17,19-20,24-25,29-34,43-45H,3,9-11,15,18H2,1-2,4H3,(H2,39,46)(H,40,47) |
| InChI Key | QXENAONMUSFVCF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H46N2O8 |
| Molecular Weight | 658.80 g/mol |
| Exact Mass | 658.32541643 g/mol |
| Topological Polar Surface Area (TPSA) | 176.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 25-Benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/be94a960-8651-11ee-8c16-cb5c33e7f6f8.jpg "2D Structure of 25-Benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide")
| 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 | 99.54% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.71% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.90% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.81% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.16% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.01% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.86% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.58% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.28% | 91.07% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.44% | 97.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.54% | 99.17% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.74% | 91.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.49% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.97% | 94.08% |
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.
| Cirsium arvense |
| Sonchus arvensis |
| PubChem | 75952400 |
| LOTUS | LTS0131950 |
| wikiData | Q104196301 |