5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpent-1-en-3-ol
| Internal ID | 982f6c78-fd51-470d-801d-43c4ab134441 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpent-1-en-3-ol |
| SMILES (Canonical) | CC1=CC2=C(C3=C1OC(C=C3)(C)CCC(C(=C)C)O)NC4=CC=CC=C42 |
| SMILES (Isomeric) | CC1=CC2=C(C3=C1OC(C=C3)(C)CCC(C(=C)C)O)NC4=CC=CC=C42 |
| InChI | InChI=1S/C23H25NO2/c1-14(2)20(25)10-12-23(4)11-9-17-21-18(13-15(3)22(17)26-23)16-7-5-6-8-19(16)24-21/h5-9,11,13,20,24-25H,1,10,12H2,2-4H3 |
| InChI Key | SMFCNLXOVHSDML-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H25NO2 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.188529040 g/mol |
| Topological Polar Surface Area (TPSA) | 45.20 Ų |
| XlogP | 5.60 |
| NSC654289 |
| CHEMBL526665 |
| orb1680550 |
| NSC-654289 |
| NCI60_018853 |
![2D Structure of 5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpent-1-en-3-ol](https://plantaedb.com/storage/docs/compounds/2023/07/5-35-dimethyl-11h-pyrano32-acarbazol-3-yl-2-methylpent-1-en-3-ol.jpg "2D Structure of 5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpent-1-en-3-ol")
| 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 | 99.51% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 97.29% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.47% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.62% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.56% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.47% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.38% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.25% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.80% | 98.59% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.93% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.65% | 95.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.68% | 96.39% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 84.47% | 93.81% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.59% | 89.44% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.11% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.92% | 94.80% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.53% | 88.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.62% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.30% | 91.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.56% | 93.99% |
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.
| Bergera euchrestifolia |
| PubChem | 375155 |
| NPASS | NPC476106 |
| ChEMBL | CHEMBL526665 |
| LOTUS | LTS0245830 |
| wikiData | Q105255866 |