3a,5a,8,8,11b,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
| Internal ID | 35cb6eeb-41a3-40ff-80e6-6c5fe3c786d6 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | 3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CCC5=C4CCC(C5(C)C)O)C)C)C)C |
| SMILES (Isomeric) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CCC5=C4CCC(C5(C)C)O)C)C)C)C |
| InChI | InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h19-20,23-25,31H,9-18H2,1-8H3 |
| InChI Key | VNBJSUYXZGBVPM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
![2D Structure of 3a,5a,8,8,11b,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5e9043d0-8694-11ee-9750-c1b705334c4d.jpg "2D Structure of 3a,5a,8,8,11b,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol")
| 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 | 94.30% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.96% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.78% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.62% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.97% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.83% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.52% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.90% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.88% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.48% | 92.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.26% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.83% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.45% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.13% | 92.86% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.25% | 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.
| Adiantum capillus-veneris |
| PubChem | 85276167 |
| LOTUS | LTS0122427 |
| wikiData | Q105289476 |