[16-Benzamido-7-[1-(dimethylamino)ethyl]-13-hydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-8-yl] acetate
| Internal ID | 18704dde-edc3-4497-a69a-8d197a9e4b6b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [16-benzamido-7-[1-(dimethylamino)ethyl]-13-hydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-8-yl] acetate |
| SMILES (Canonical) | CC(C1C(CC2(C1(CC=C3C2CC(C4C5(COC4(C3)C=CC5NC(=O)C6=CC=CC=C6)C)O)C)C)OC(=O)C)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)OC(=O)C)N(C)C |
| InChI | InChI=1S/C35H48N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26(39)30-32(3)20-41-35(30,18-24(25)13-15-33(29,34)4)16-14-28(32)36-31(40)23-11-9-8-10-12-23/h8-14,16,21,25-30,39H,15,17-20H2,1-7H3,(H,36,40) |
| InChI Key | JTYUIQIWSMPTDQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H48N2O5 |
| Molecular Weight | 576.80 g/mol |
| Exact Mass | 576.35632264 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of [16-Benzamido-7-[1-(dimethylamino)ethyl]-13-hydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-8-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e1999df0-8612-11ee-8916-77415ff358d9.jpg "2D Structure of [16-Benzamido-7-[1-(dimethylamino)ethyl]-13-hydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-8-yl] acetate")
| 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 | 99.57% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.24% | 91.11% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 95.92% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 93.17% | 94.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.03% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.67% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.52% | 94.62% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 92.04% | 98.44% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 91.88% | 87.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.31% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.88% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 89.00% | 97.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.15% | 94.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.14% | 94.73% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.46% | 93.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.74% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.38% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.17% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.11% | 97.14% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.32% | 94.97% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.27% | 97.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.43% | 81.11% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 81.41% | 91.65% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.92% | 97.06% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.71% | 100.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 80.68% | 89.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.01% | 85.14% |
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 hildebrandtii |
| PubChem | 162857715 |
| LOTUS | LTS0221968 |
| wikiData | Q104888594 |