[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylate
| Internal ID | 5ecd4d8b-73ac-4a76-ae2e-e86ef09b2b7d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Dibenzopyrans |
| IUPAC Name | [(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylate |
| SMILES (Canonical) | CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)OC4(CCC(=CC4)C)C(C)C)O |
| SMILES (Isomeric) | CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)O[C@@]4(CCC(=CC4)C)C(C)C)O |
| InChI | InChI=1S/C32H42O4/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/h12-14,18-20,33H,8-11,15-17H2,1-7H3/t32-/m0/s1 |
| InChI Key | CTWVUTHJMAYHKZ-YTTGMZPUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H42O4 |
| Molecular Weight | 490.70 g/mol |
| Exact Mass | 490.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 9.20 |
| There are no found synonyms. |
![2D Structure of [(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/bd81b0a0-84e4-11ee-918d-15254e58d432.jpg "2D Structure of [(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[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 | 99.64% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.02% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.51% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.44% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.29% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.37% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.75% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.59% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.84% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.54% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.52% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.06% | 94.80% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.57% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.20% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.01% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.00% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.68% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.00% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.63% | 93.56% |
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 | 162847257 |
| LOTUS | LTS0205081 |
| wikiData | Q104970108 |