N-[(2S)-1-[(1R,12R,13R,14S,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide
| Internal ID | 92685dcf-4e2a-44db-8a44-f17357dc91c3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
| IUPAC Name | N-[(2S)-1-[(1R,12R,13R,14S,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide |
| SMILES (Canonical) | CC(C)C(=O)NC1CCCN1C(=O)C2C(C3(C(C2(C4=C(C5=C(C=C4O3)OCO5)OC)O)O)C6=CC=C(C=C6)OC)C7=CC=CC=C7 |
| SMILES (Isomeric) | CC(C)C(=O)N[C@@H]1CCCN1C(=O)[C@H]2[C@@H]([C@]3([C@H]([C@@]2(C4=C(C5=C(C=C4O3)OCO5)OC)O)O)C6=CC=C(C=C6)OC)C7=CC=CC=C7 |
| InChI | InChI=1S/C35H38N2O9/c1-19(2)31(38)36-25-11-8-16-37(25)32(39)28-26(20-9-6-5-7-10-20)35(21-12-14-22(42-3)15-13-21)33(40)34(28,41)27-23(46-35)17-24-29(30(27)43-4)45-18-44-24/h5-7,9-10,12-15,17,19,25-26,28,33,40-41H,8,11,16,18H2,1-4H3,(H,36,38)/t25-,26-,28+,33-,34-,35-/m0/s1 |
| InChI Key | HAFLZKVDLUXIRO-VOIPCOBNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H38N2O9 |
| Molecular Weight | 630.70 g/mol |
| Exact Mass | 630.25773079 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of N-[(2S)-1-[(1R,12R,13R,14S,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/c19150f0-8434-11ee-808b-e7242b635b5e.jpg "2D Structure of N-[(2S)-1-[(1R,12R,13R,14S,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.60% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.62% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.05% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.71% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.32% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.79% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.35% | 97.14% |
| CHEMBL204 | P00734 | Thrombin | 93.25% | 96.01% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 92.91% | 99.18% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.70% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.65% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.96% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.77% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.99% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.91% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.20% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.10% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.90% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.06% | 93.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.04% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.36% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.13% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.19% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 83.71% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.64% | 89.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.18% | 98.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.13% | 98.75% |
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.
| Aglaia edulis |
| PubChem | 10555991 |
| LOTUS | LTS0131622 |
| wikiData | Q105024840 |