6-(Dimethylamino)-15-ethylidene-7,7,11,12,16-pentamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
| Internal ID | 2c242f32-377e-4ec2-8760-ae94caaaa9cc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-(dimethylamino)-15-ethylidene-7,7,11,12,16-pentamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one |
| SMILES (Canonical) | CC=C1C(=O)CC2(C1(CCC34C2(CCC5C3(C4)CCC(C5(C)C)N(C)C)C)C)C |
| SMILES (Isomeric) | CC=C1C(=O)CC2(C1(CCC34C2(CCC5C3(C4)CCC(C5(C)C)N(C)C)C)C)C |
| InChI | InChI=1S/C27H43NO/c1-9-18-19(29)16-25(6)23(18,4)14-15-27-17-26(27)13-11-21(28(7)8)22(2,3)20(26)10-12-24(25,27)5/h9,20-21H,10-17H2,1-8H3 |
| InChI Key | ZJCQKCYHGHOOCN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H43NO |
| Molecular Weight | 397.60 g/mol |
| Exact Mass | 397.334464995 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 6-(Dimethylamino)-15-ethylidene-7,7,11,12,16-pentamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/0315d9f0-856a-11ee-90d9-79ece5f4f3d9.jpg "2D Structure of 6-(Dimethylamino)-15-ethylidene-7,7,11,12,16-pentamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.12% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.70% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.00% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.57% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.37% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.20% | 90.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.04% | 89.34% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.76% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.05% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.68% | 92.97% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.70% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.37% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.12% | 91.11% |
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 | 163022238 |
| LOTUS | LTS0128606 |
| wikiData | Q105377787 |