N-[7-[1-(dimethylamino)ethyl]-8,13-dihydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-16-yl]benzamide
| Internal ID | 88bf47a4-0756-4af2-94b7-66b3a4a71cec |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | N-[7-[1-(dimethylamino)ethyl]-8,13-dihydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-16-yl]benzamide |
| SMILES (Canonical) | CC(C1C(CC2(C1(CC=C3C2CC(C4C5(COC4(C3)C=CC5NC(=O)C6=CC=CC=C6)C)O)C)C)O)N(C)C |
| SMILES (Isomeric) | CC(C1C(CC2(C1(CC=C3C2CC(C4C5(COC4(C3)C=CC5NC(=O)C6=CC=CC=C6)C)O)C)C)O)N(C)C |
| InChI | InChI=1S/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38) |
| InChI Key | FBMFMDSVTBIJPB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H46N2O4 |
| Molecular Weight | 534.70 g/mol |
| Exact Mass | 534.34575795 g/mol |
| Topological Polar Surface Area (TPSA) | 82.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of N-[7-[1-(dimethylamino)ethyl]-8,13-dihydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-16-yl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/b06d3f20-80f2-11ee-8427-f942e21572c5.jpg "2D Structure of N-[7-[1-(dimethylamino)ethyl]-8,13-dihydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-16-yl]benzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.63% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 95.09% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.98% | 95.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.93% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.86% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.57% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.67% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.86% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 87.98% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.02% | 94.73% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.68% | 93.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.69% | 91.49% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 84.73% | 89.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.29% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.45% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.10% | 100.00% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 82.08% | 98.44% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.20% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.10% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.05% | 97.25% |
| CHEMBL3776 | Q14790 | Caspase-8 | 81.01% | 97.06% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.96% | 98.75% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.76% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.14% | 93.56% |
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.
| Buxus natalensis |
| PubChem | 75576862 |
| LOTUS | LTS0021918 |
| wikiData | Q104992724 |