3-(5,8,9,13-Tetramethyl-3-methylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl)propanal
| Internal ID | 6064a47a-7c6b-4f9f-a94c-c5962a6fd559 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 3-(5,8,9,13-tetramethyl-3-methylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl)propanal |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H46O/c1-19(2)21-11-13-24-25(21,4)14-16-27(6)23-12-10-20(3)22(9-8-18-29)26(23,5)15-17-28(24,27)7/h18-19,21-24H,3,8-17H2,1-2,4-7H3 |
| InChI Key | BYHNDWHKOIUCBE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H46O |
| Molecular Weight | 398.70 g/mol |
| Exact Mass | 398.354866087 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of 3-(5,8,9,13-Tetramethyl-3-methylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl)propanal](https://plantaedb.com/storage/docs/compounds/2023/11/7b6271e0-874b-11ee-8437-79dc1fe20fd0.jpg "2D Structure of 3-(5,8,9,13-Tetramethyl-3-methylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl)propanal")
| 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 | 97.06% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.99% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.02% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.78% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.53% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.53% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.89% | 91.11% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.80% | 99.18% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.56% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.55% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.52% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.09% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.06% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.31% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.25% | 95.50% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.67% | 92.51% |
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.
| Adiantum raddianum |
| PubChem | 85234422 |
| LOTUS | LTS0217811 |
| wikiData | Q104949284 |