2-(3-Hydroxy-4-methylpent-4-enyl)-2-methyl-7-pentylchromen-5-ol
| Internal ID | 0ff6a53e-f932-4718-bcac-4988ff97cc48 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 2-(3-hydroxy-4-methylpent-4-enyl)-2-methyl-7-pentylchromen-5-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H30O3/c1-5-6-7-8-16-13-19(23)17-9-11-21(4,24-20(17)14-16)12-10-18(22)15(2)3/h9,11,13-14,18,22-23H,2,5-8,10,12H2,1,3-4H3 |
| InChI Key | IDJFUDPWCZNLTI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H30O3 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 5.90 |
| SCHEMBL31545046 |
| 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 | 99.13% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.95% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 96.04% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.94% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.85% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.66% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.98% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.87% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.12% | 92.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.91% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.57% | 97.29% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.92% | 97.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.73% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.68% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.68% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.41% | 92.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.38% | 90.71% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.29% | 99.35% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.53% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.41% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.40% | 97.25% |
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 | 44139613 |
| NPASS | NPC476254 |
| ChEMBL | CHEMBL558682 |
| LOTUS | LTS0250791 |
| wikiData | Q105111389 |