4,4,6a,6b,8a,11,11,14b-Octamethyl-docosahydropicen-3-ol
| Internal ID | e6ad8a7d-3abb-4aca-9fa3-7e9e58efb211 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C |
| InChI | InChI=1S/C30H52O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h20-24,31H,9-19H2,1-8H3 |
| InChI Key | FPJNRBDCZVCRQL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.10 |
| SCHEMBL14350531 |
| FPJNRBDCZVCRQL-UHFFFAOYSA-N |
| 4,4,6a,6b,8a,11,11,14b-Octamethyl-docosahydropicen-3-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.44% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.43% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 91.93% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.18% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.33% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.11% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.15% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.76% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.65% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.26% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.57% | 91.03% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 83.17% | 98.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.93% | 97.25% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 81.22% | 88.81% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.79% | 92.98% |
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.
| Celtis australis |
| Citrus trifoliata |
| Cyclolepis genistoides |
| Diospyros morrisiana |
| PubChem | 605867 |
| LOTUS | LTS0085538 |
| wikiData | Q104999238 |