[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate
| Internal ID | a8b5966e-de18-4eb1-bc80-57c34a9f41d3 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | [(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H46O4/c1-8-9-10-11-23-19-26-28(24-18-22(5)12-13-25(24)31(6,7)35-26)29(33)27(23)30(34)36-32(20(2)3)16-14-21(4)15-17-32/h14,18-20,24-25,33H,8-13,15-17H2,1-7H3/t24-,25-,32+/m1/s1 |
| InChI Key | GPDTXUUTEQEBIO-VJQVOXFUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H46O4 |
| Molecular Weight | 494.70 g/mol |
| Exact Mass | 494.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of [(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b730da80-85f6-11ee-b36f-17cea8d06958.jpg "2D Structure of [(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.56% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.07% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.80% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.77% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.60% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.54% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.26% | 89.63% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.11% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.05% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.86% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.72% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.24% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.74% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.32% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.21% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.78% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.75% | 94.73% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.49% | 89.05% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.14% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.03% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.54% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.13% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.76% | 94.80% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.07% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.91% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.90% | 95.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.74% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.67% | 96.47% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.41% | 96.43% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.01% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.21% | 94.33% |
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.
| Cannabis sativa |
| PubChem | 162889905 |
| LOTUS | LTS0079180 |
| wikiData | Q105014782 |