(2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl) 3-hydroxybutanoate
| Internal ID | f76aa2d4-364d-4ab6-9d14-f121243290ab |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl) 3-hydroxybutanoate |
| SMILES (Canonical) | CC(CC(=O)OC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)O |
| SMILES (Isomeric) | CC(CC(=O)OC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)O |
| InChI | InChI=1S/C18H21NO10/c1-5(20)2-8(21)29-17-9-6-3-7-16(28-4-27-7)12(22)10(6)18(26)19-11(9)13(23)14(24)15(17)25/h3,5,9,11,13-15,17,20,22-25H,2,4H2,1H3,(H,19,26) |
| InChI Key | ZHHCZHUMIUUUGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21NO10 |
| Molecular Weight | 411.40 g/mol |
| Exact Mass | 411.11654587 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | -1.30 |
| There are no found synonyms. |
![2D Structure of (2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl) 3-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8062f3b0-855d-11ee-bb81-89a49940449e.jpg "2D Structure of (2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl) 3-hydroxybutanoate")
| 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 | 99.27% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.18% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.51% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.66% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.69% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.39% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.55% | 92.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.33% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.24% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.66% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.43% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.85% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.39% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.38% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.98% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.46% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.75% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.31% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.01% | 89.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.14% | 96.47% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.00% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.97% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.94% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.70% | 94.73% |
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.
| Zephyranthes carinata |
| PubChem | 85141237 |
| LOTUS | LTS0169866 |
| wikiData | Q105375728 |