3a,5a,8,8,11a,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysene
| Internal ID | 238e331c-3aa1-4d28-bd38-c7c4c4dc3471 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysene |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CCC4C3=CCC5C4(CCCC5(C)C)C)C)C)C |
| SMILES (Isomeric) | CC(C)C1CCC2C1(CCC3(C2(CCC4C3=CCC5C4(CCCC5(C)C)C)C)C)C |
| InChI | InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h11,20-22,24-25H,9-10,12-19H2,1-8H3 |
| InChI Key | NYHSEYGDWZMIEZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50 |
| Molecular Weight | 410.70 g/mol |
| Exact Mass | 410.391251595 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 10.50 |
| There are no found synonyms. |
![2D Structure of 3a,5a,8,8,11a,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysene](https://plantaedb.com/storage/docs/compounds/2023/11/07f6f5f0-865a-11ee-8c9f-bfedc3d962d8.jpg "2D Structure of 3a,5a,8,8,11a,13a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysene")
| 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 | 98.69% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.27% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.69% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.06% | 91.11% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.35% | 99.18% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.16% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.13% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.87% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.02% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.01% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.01% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.82% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.37% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.14% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.54% | 93.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.20% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.42% | 93.00% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.81% | 93.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.73% | 94.78% |
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 |
| Adiantum caudatum |
| Adiantum edgeworthii |
| Adiantum pedatum |
| Adiantum raddianum |
| Goniophlebium mengtzeense |
| Polypodium fauriei |
| PubChem | 13857699 |
| LOTUS | LTS0171872 |
| wikiData | Q104398783 |