(1S,4S,5R,9S,10R,13R,14R)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarbaldehyde
| Internal ID | 3fdab985-7a8f-48b0-9d72-167d5e15dcfb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1S,4S,5R,9S,10R,13R,14R)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarbaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)C=O)C)C=O |
| SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@H](C4)C=O)C)C=O |
| InChI | InChI=1S/C20H30O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h12-17H,3-11H2,1-2H3/t14-,15+,16-,17+,18+,19-,20+/m1/s1 |
| InChI Key | WOGLLNATOODCPC-BHNCTZQBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (1S,4S,5R,9S,10R,13R,14R)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1s4s5r9s10r13r14r-59-dimethyltetracyclo11210110049hexadecane-514-dicarbaldehyde.jpg "2D Structure of (1S,4S,5R,9S,10R,13R,14R)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.68% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.97% | 95.58% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.13% | 95.69% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 86.88% | 99.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.44% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.12% | 95.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.44% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.40% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.66% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.63% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.96% | 94.45% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 82.54% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 82.24% | 89.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.14% | 95.89% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.34% | 86.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.94% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.77% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.45% | 93.00% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 80.44% | 95.27% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.03% | 85.30% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.02% | 95.38% |
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.
| Baccharis minutiflora |
| PubChem | 163079443 |
| LOTUS | LTS0078170 |
| wikiData | Q105309497 |