(4aR,6aS,6aR,6bR,8aR,12aS,14aS,14bS)-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-hexadecahydropicene
| Internal ID | b34c30f8-628a-4a9a-ae8d-2512c65e0bbc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4aR,6aS,6aR,6bR,8aR,12aS,14aS,14bS)-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-hexadecahydropicene |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@]3([C@H]([C@@H]1CC(CC2)(C)C)CC[C@@H]4[C@]3(CC[C@H]5[C@@]4(CCCC5(C)C)C)C)C |
| InChI | InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 |
| InChI Key | VCNKUCWWHVTTBY-QHPUVITPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52 |
| Molecular Weight | 412.70 g/mol |
| Exact Mass | 412.406901659 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 11.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.61% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.49% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.41% | 97.09% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 92.36% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.21% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.43% | 99.18% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.75% | 92.98% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.26% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.51% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.42% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 87.05% | 98.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.02% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.83% | 91.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.42% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.39% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.20% | 96.61% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.80% | 92.88% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.54% | 94.78% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 81.33% | 88.81% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.04% | 91.11% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.84% | 99.17% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.79% | 95.38% |
| CHEMBL204 | P00734 | Thrombin | 80.21% | 96.01% |
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.
| Kalanchoe pinnata |
| PubChem | 162930219 |
| LOTUS | LTS0200143 |
| wikiData | Q105283829 |