7-[(1S,2S)-1,2-dihydroxypropyl]-8-methyl-11H-indolizino[1,2-b]quinolin-9-one
| Internal ID | d46b3e89-ace7-408b-98f4-d4ae13ff8d4d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives |
| IUPAC Name | 7-[(1S,2S)-1,2-dihydroxypropyl]-8-methyl-11H-indolizino[1,2-b]quinolin-9-one |
| SMILES (Canonical) | CC1=C(C=C2C3=NC4=CC=CC=C4C=C3CN2C1=O)C(C(C)O)O |
| SMILES (Isomeric) | CC1=C(C=C2C3=NC4=CC=CC=C4C=C3CN2C1=O)[C@@H]([C@H](C)O)O |
| InChI | InChI=1S/C19H18N2O3/c1-10-14(18(23)11(2)22)8-16-17-13(9-21(16)19(10)24)7-12-5-3-4-6-15(12)20-17/h3-8,11,18,22-23H,9H2,1-2H3/t11-,18+/m0/s1 |
| InChI Key | HKRZUIMRGRZSMM-BBATYDOGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18N2O3 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.13174244 g/mol |
| Topological Polar Surface Area (TPSA) | 73.70 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 7-[(1S,2S)-1,2-dihydroxypropyl]-8-methyl-11H-indolizino[1,2-b]quinolin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-1s2s-12-dihydroxypropyl-8-methyl-11h-indolizino12-bquinolin-9-one.jpg "2D Structure of 7-[(1S,2S)-1,2-dihydroxypropyl]-8-methyl-11H-indolizino[1,2-b]quinolin-9-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.98% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.17% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 96.49% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.61% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.50% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.80% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.05% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.50% | 93.99% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 87.87% | 87.67% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.86% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.38% | 90.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.31% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.25% | 94.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.21% | 92.98% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.71% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.62% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.63% | 93.40% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.11% | 93.10% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.04% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.84% | 89.00% |
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.
| Camptotheca acuminata |
| PubChem | 163014765 |
| LOTUS | LTS0038262 |
| wikiData | Q105029927 |