(6aR,8aR,12S,14bS)-4,6a,8a,11,12,14b-hexamethyl-2,3,4,4a,5,6,6b,7,8,9,10,11,12,12a,14,14a-hexadecahydro-1H-picene
| Internal ID | 49ceff89-d0b4-48e6-90aa-2bac40675924 |
| Taxonomy | Hydrocarbons > Polycyclic hydrocarbons |
| IUPAC Name | (6aR,8aR,12S,14bS)-4,6a,8a,11,12,14b-hexamethyl-2,3,4,4a,5,6,6b,7,8,9,10,11,12,12a,14,14a-hexadecahydro-1H-picene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H46/c1-18-11-15-26(4)16-12-23-21(25(26)20(18)3)9-10-24-27(5)14-7-8-19(2)22(27)13-17-28(23,24)6/h9,18-20,22-25H,7-8,10-17H2,1-6H3/t18?,19?,20-,22?,23?,24?,25?,26+,27-,28-/m0/s1 |
| InChI Key | OEUNGWKCMOOWMP-VKAYPZKTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H46 |
| Molecular Weight | 382.70 g/mol |
| Exact Mass | 382.359951467 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 9.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.56% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.69% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.08% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.50% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.66% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.60% | 90.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.46% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.48% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.07% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.00% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.34% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.66% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.33% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.79% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.91% | 98.10% |
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.
| Haloxylon salicornicum |
| PubChem | 163188293 |
| LOTUS | LTS0079570 |
| wikiData | Q105190567 |