(4R,4aR,8S,11aS,11bR)-4,8,9,11b-tetramethyl-2,3,4a,5,6,8,11,11a-octahydro-1H-cyclohepta[a]naphthalene-4-carbaldehyde
| Internal ID | de0b0980-442e-4b0d-a4c8-81289be0977c |
| Taxonomy | Organic oxygen compounds > Organic oxides |
| IUPAC Name | (4R,4aR,8S,11aS,11bR)-4,8,9,11b-tetramethyl-2,3,4a,5,6,8,11,11a-octahydro-1H-cyclohepta[a]naphthalene-4-carbaldehyde |
| SMILES (Canonical) | CC1C=C2CCC3C(CCCC3(C2CC=C1C)C)(C)C=O |
| SMILES (Isomeric) | C[C@H]1C=C2CC[C@H]3[C@](CCC[C@@]3([C@H]2CC=C1C)C)(C)C=O |
| InChI | InChI=1S/C20H30O/c1-14-6-8-17-16(12-15(14)2)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12-13,15,17-18H,5,7-11H2,1-4H3/t15-,17-,18-,19-,20+/m0/s1 |
| InChI Key | VCUHLFQRJCWTIG-ONSCTEFMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O |
| Molecular Weight | 286.50 g/mol |
| Exact Mass | 286.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (4R,4aR,8S,11aS,11bR)-4,8,9,11b-tetramethyl-2,3,4a,5,6,8,11,11a-octahydro-1H-cyclohepta[a]naphthalene-4-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/c854ded0-82f4-11ee-b01f-a1e00a45ada5.jpg "2D Structure of (4R,4aR,8S,11aS,11bR)-4,8,9,11b-tetramethyl-2,3,4a,5,6,8,11,11a-octahydro-1H-cyclohepta[a]naphthalene-4-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.56% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.98% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.50% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.77% | 91.11% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.41% | 86.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.96% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.98% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.06% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.55% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.31% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.64% | 93.56% |
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.
| Pinus strobus |
| PubChem | 163071553 |
| LOTUS | LTS0222373 |
| wikiData | Q105283959 |