(3S,5aS,5bR,7aS,11aS,11bR,13aS)-3,5b,8,8,11a,13a-hexamethyl-3,4,5,5a,6,7,7a,9,10,11,11b,12-dodecahydrophenanthro[1,2-g][2]benzofuran-1,13-dione
| Internal ID | aabd377d-ad49-4dd6-af31-4c6bb44c4a4e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | (3S,5aS,5bR,7aS,11aS,11bR,13aS)-3,5b,8,8,11a,13a-hexamethyl-3,4,5,5a,6,7,7a,9,10,11,11b,12-dodecahydrophenanthro[1,2-g][2]benzofuran-1,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H38O3/c1-15-16-8-9-18-25(5)13-10-17-23(2,3)11-7-12-24(17,4)19(25)14-20(27)26(18,6)21(16)22(28)29-15/h15,17-19H,7-14H2,1-6H3/t15-,17-,18-,19+,24-,25-,26+/m0/s1 |
| InChI Key | VFRNXSMOWWJWSC-IPJXOABRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O3 |
| Molecular Weight | 398.60 g/mol |
| Exact Mass | 398.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (3S,5aS,5bR,7aS,11aS,11bR,13aS)-3,5b,8,8,11a,13a-hexamethyl-3,4,5,5a,6,7,7a,9,10,11,11b,12-dodecahydrophenanthro[1,2-g][2]benzofuran-1,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/61c7deb0-8635-11ee-a0ca-2f0fd57e171c.jpg "2D Structure of (3S,5aS,5bR,7aS,11aS,11bR,13aS)-3,5b,8,8,11a,13a-hexamethyl-3,4,5,5a,6,7,7a,9,10,11,11b,12-dodecahydrophenanthro[1,2-g][2]benzofuran-1,13-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.94% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.37% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.36% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.70% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.32% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.51% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.04% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.38% | 97.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.26% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.08% | 98.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.70% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.46% | 93.03% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.66% | 92.97% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.44% | 93.04% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.30% | 93.99% |
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.
| There are no matching plants. |
| PubChem | 21581029 |
| LOTUS | LTS0134696 |
| wikiData | Q105285545 |