1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
| Internal ID | bd22286f-4268-44a5-85fc-594e2c6b55bf |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids |
| IUPAC Name | 1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| SMILES (Canonical) | C1OC2=C(O1)C(=C3C(=C2)C4C(C(C(C(C4O)O)O)O)NC3=O)O |
| SMILES (Isomeric) | C1OC2=C(O1)C(=C3C(=C2)C4C(C(C(C(C4O)O)O)O)NC3=O)O |
| InChI | InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21) |
| InChI Key | VREZDOWOLGNDPW-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C14H15NO8 |
| Molecular Weight | 325.27 g/mol |
| Exact Mass | 325.07976644 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | -1.60 |
| MLS002701837 |
| Neuro_000180 |
| cid_609635 |
| CHEMBL1736766 |
| SCHEMBL16072411 |
| BDBM93506 |
| DTXSID70869262 |
| VREZDOWOLGNDPW-UHFFFAOYSA-N |
| ZINC00897597 |
| 1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/12347-pentahydroxy-2344a511b-hexahydro-1h-13dioxolo45-jphenanthridin-6-one.jpg "2D Structure of 1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.48% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.23% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.10% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.80% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.44% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.34% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.92% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.40% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.74% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.65% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.87% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.86% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.36% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.16% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.15% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.08% | 96.21% |
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.
| Habranthus brachyandrus |
| Hymenocallis littoralis |
| Scadoxus multiflorus subsp. multiflorus |
| PubChem | 609635 |
| LOTUS | LTS0208396 |
| wikiData | Q105291725 |