3,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(15)-ene-8,19-dione
| Internal ID | 71f65653-220b-4917-81a2-94ebbeb8afd8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(15)-ene-8,19-dione |
| SMILES (Canonical) | CC1(C2CCC3=C(C2(CCC1=O)C)CCC4C(C3)(CCC5C4(CCC(=O)C5(C)C)C)C)C |
| SMILES (Isomeric) | CC1(C2CCC3=C(C2(CCC1=O)C)CCC4C(C3)(CCC5C4(CCC(=O)C5(C)C)C)C)C |
| InChI | InChI=1S/C30H46O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h21-23H,8-18H2,1-7H3 |
| InChI Key | CDCKBLNAQWOFID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O2 |
| Molecular Weight | 438.70 g/mol |
| Exact Mass | 438.349780706 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 3,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(15)-ene-8,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/37711162020-heptamethylpentacyclo13800312061101621tricos-115-ene-819-dione.jpg "2D Structure of 3,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(15)-ene-8,19-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.47% | 85.30% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.56% | 97.09% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 89.62% | 91.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.73% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.32% | 97.05% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.59% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.54% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.80% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.56% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.50% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.27% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.53% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.39% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.23% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.74% | 93.04% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.59% | 97.25% |
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.
| Abies spectabilis |
| PubChem | 74378761 |
| LOTUS | LTS0211060 |
| wikiData | Q104954216 |