(8S,10S)-8-(2-hydroperoxypropan-2-yl)-7,8,9,10-tetrahydro-5H-benzo[b]carbazol-10-ol
| Internal ID | 600a4660-b3f9-4634-8e00-9780d3a10299 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (8S,10S)-8-(2-hydroperoxypropan-2-yl)-7,8,9,10-tetrahydro-5H-benzo[b]carbazol-10-ol |
| SMILES (Canonical) | CC(C)(C1CC(C2=CC3=C(C=C2C1)NC4=CC=CC=C43)O)OO |
| SMILES (Isomeric) | CC(C)([C@@H]1C[C@@H](C2=CC3=C(C=C2C1)NC4=CC=CC=C43)O)OO |
| InChI | InChI=1S/C19H21NO3/c1-19(2,23-22)12-7-11-8-17-15(10-14(11)18(21)9-12)13-5-3-4-6-16(13)20-17/h3-6,8,10,12,18,20-22H,7,9H2,1-2H3/t12-,18-/m0/s1 |
| InChI Key | LUVDGCKXUWOVBT-SGTLLEGYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO3 |
| Molecular Weight | 311.40 g/mol |
| Exact Mass | 311.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 65.50 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (8S,10S)-8-(2-hydroperoxypropan-2-yl)-7,8,9,10-tetrahydro-5H-benzo[b]carbazol-10-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8s10s-8-2-hydroperoxypropan-2-yl-78910-tetrahydro-5h-benzobcarbazol-10-ol.jpg "2D Structure of (8S,10S)-8-(2-hydroperoxypropan-2-yl)-7,8,9,10-tetrahydro-5H-benzo[b]carbazol-10-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 | 98.90% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.60% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.83% | 97.25% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.33% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.36% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.60% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.64% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.48% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.10% | 93.99% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.76% | 94.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.29% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.05% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.93% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.25% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.52% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.25% | 93.65% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.87% | 94.08% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.17% | 92.97% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.88% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.87% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.36% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.72% | 94.45% |
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.
| Clausena lansium |
| PubChem | 163032584 |
| LOTUS | LTS0048725 |
| wikiData | Q105222976 |