(3S)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol
| Internal ID | f6b936c3-756a-4bd0-966e-0b31123d6eb7 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (3S)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol |
| SMILES (Canonical) | CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O |
| SMILES (Isomeric) | CC1=CC2=C(C3=C1O[C@@](C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O |
| InChI | InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-18-21-19(12-15(3)22(18)26-23)17-8-7-16(25)13-20(17)24-21/h6-9,11-13,24-25H,5,10H2,1-4H3/t23-/m0/s1 |
| InChI Key | DWMBXHWBPZZCTN-QHCPKHFHSA-N |
| Popularity | 0 references 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 | 6.30 |
| There are no found synonyms. |
![2D Structure of (3S)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3s-35-dimethyl-3-4-methylpent-3-enyl-11h-pyrano32-acarbazol-9-ol.jpg "2D Structure of (3S)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.42% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.33% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.05% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.80% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.26% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.12% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.77% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.07% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.72% | 91.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.19% | 98.59% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.91% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.51% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.82% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.15% | 95.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.43% | 96.39% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.23% | 97.28% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.86% | 95.92% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.61% | 94.80% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.11% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.70% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.66% | 89.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.07% | 93.40% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.96% | 95.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.16% | 97.00% |
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.
| Micromelum minutum |
| Murraya euchrestifolia |
| Murraya koenigii |
| PubChem | 11360000 |
| LOTUS | LTS0209524 |
| wikiData | Q104168848 |