1H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol, 2,3,4,4a-tetrahydro-7-methoxy-
| Internal ID | ff1168de-cb88-4946-a7ab-d412d853dcab |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol |
| SMILES (Canonical) | COC1=C2CN3CCC4(C3CCC(C4O)O)C2=CC5=C1OCO5 |
| SMILES (Isomeric) | COC1=C2CN3CCC4(C3CCC(C4O)O)C2=CC5=C1OCO5 |
| InChI | InChI=1S/C17H21NO5/c1-21-14-9-7-18-5-4-17(13(18)3-2-11(19)16(17)20)10(9)6-12-15(14)23-8-22-12/h6,11,13,16,19-20H,2-5,7-8H2,1H3 |
| InChI Key | YDHBKYCFICHVSW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H21NO5 |
| Molecular Weight | 319.40 g/mol |
| Exact Mass | 319.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 0.80 |
| Bowdensine, deacetyl- |
| Di-O-deacetylbowdensine |
| YDHBKYCFICHVSW-UHFFFAOYSA-N |
| 1H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol, 2,3,4,4a-tetrahydro-7-methoxy- |
| 7-Methoxycrinan-1,2-diol-, (1.alpha.2.beta.)- |
| Crinan-1,2-diol, 7-methoxy-,(1.alpha.2.beta.)- |
![2D Structure of 1H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol, 2,3,4,4a-tetrahydro-7-methoxy-](https://plantaedb.com/storage/docs/compounds/2023/11/1h6h-511b-ethano13dioxolo45-jphenanthridine-12-diol-2344a-tetrahydro-7-methoxy-.jpg "2D Structure of 1H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol, 2,3,4,4a-tetrahydro-7-methoxy-")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.38% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.84% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.12% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.81% | 97.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.19% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.02% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.96% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.76% | 92.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.35% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.85% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.90% | 82.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.05% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.58% | 89.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.16% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.06% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.01% | 98.75% |
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.
| Brunsvigia orientalis |
| Crinum asiaticum |
| Crinum bulbispermum |
| Crinum macowanii |
| PubChem | 629204 |
| LOTUS | LTS0193243 |
| wikiData | Q105346742 |