3a,5b,8,8,11a,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,5a,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,6,9-triol
| Internal ID | dcfb0fe8-d757-4139-b594-5146cf66e6e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | 3a,5b,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5a,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,6,9-triol |
| SMILES (Canonical) | CC(C)C1CC(C2C1(CCC3C2(CC=C4C3(C(CC5C4(CCC(C5(C)C)O)C)O)C)C)C)O |
| SMILES (Isomeric) | CC(C)C1CC(C2C1(CCC3C2(CC=C4C3(C(CC5C4(CCC(C5(C)C)O)C)O)C)C)C)O |
| InChI | InChI=1S/C30H50O3/c1-17(2)18-15-19(31)25-27(18,5)12-9-21-29(25,7)13-10-20-28(6)14-11-23(32)26(3,4)22(28)16-24(33)30(20,21)8/h10,17-19,21-25,31-33H,9,11-16H2,1-8H3 |
| InChI Key | MXOISZMCDMDYPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 3a,5b,8,8,11a,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,5a,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,6,9-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6ab99470-8511-11ee-bf43-33f3fc299a73.jpg "2D Structure of 3a,5b,8,8,11a,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,5a,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,6,9-triol")
| 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 | 96.63% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.39% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.97% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.46% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.14% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.12% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.89% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.32% | 95.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.03% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.93% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.18% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.77% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.17% | 95.89% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 83.00% | 93.89% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.66% | 97.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.00% | 97.79% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.86% | 85.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.60% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.30% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.04% | 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.
| Hydrangea chinensis |
| PubChem | 162936372 |
| LOTUS | LTS0211135 |
| wikiData | Q105174418 |