N-(7,7,12,16-tetramethyl-15-oxo-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl)benzamide
| Internal ID | 53bc304b-2646-4606-bbdc-3e8420d8e388 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides |
| IUPAC Name | N-(7,7,12,16-tetramethyl-15-oxo-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl)benzamide |
| SMILES (Canonical) | CC1(C2CCC3C(=CCC4(C3(CCC4=O)C)C)CC2=CCC1NC(=O)C5=CC=CC=C5)C |
| SMILES (Isomeric) | CC1(C2CCC3C(=CCC4(C3(CCC4=O)C)C)CC2=CCC1NC(=O)C5=CC=CC=C5)C |
| InChI | InChI=1S/C29H37NO2/c1-27(2)22-11-12-23-21(14-16-29(4)25(31)15-17-28(23,29)3)18-20(22)10-13-24(27)30-26(32)19-8-6-5-7-9-19/h5-10,14,22-24H,11-13,15-18H2,1-4H3,(H,30,32) |
| InChI Key | KQLTVWLESJUBJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H37NO2 |
| Molecular Weight | 431.60 g/mol |
| Exact Mass | 431.282429423 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of N-(7,7,12,16-tetramethyl-15-oxo-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl)benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-771216-tetramethyl-15-oxo-6-tetracyclo97003801216octadeca-1183-dienylbenzamide.jpg "2D Structure of N-(7,7,12,16-tetramethyl-15-oxo-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl)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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.58% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.52% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.52% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.30% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.21% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.40% | 96.09% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 88.87% | 89.23% |
| CHEMBL5028 | O14672 | ADAM10 | 87.64% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.57% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.23% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.48% | 81.11% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.06% | 92.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.43% | 86.33% |
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 sempervirens |
| PubChem | 75291585 |
| LOTUS | LTS0150871 |
| wikiData | Q105144608 |