(3R,5'S,6'R,7'aR)-5,5',6'-trihydroxy-6-methoxy-1'-methylspiro[2-benzofuran-3,7'-3,5,6,7a-tetrahydro-2H-indole]-1-one
| Internal ID | 984f0f2c-2ebb-4536-afea-7ff5a4ef5d7f |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Homolycorine-type amaryllidaceae alkaloids |
| IUPAC Name | (3R,5'S,6'R,7'aR)-5,5',6'-trihydroxy-6-methoxy-1'-methylspiro[2-benzofuran-3,7'-3,5,6,7a-tetrahydro-2H-indole]-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H19NO6/c1-18-4-3-8-5-12(20)15(21)17(14(8)18)10-7-11(19)13(23-2)6-9(10)16(22)24-17/h5-7,12,14-15,19-21H,3-4H2,1-2H3/t12-,14+,15+,17+/m0/s1 |
| InChI Key | HHWBWDHNWSYSBU-DPAVQSFQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H19NO6 |
| Molecular Weight | 333.30 g/mol |
| Exact Mass | 333.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 99.50 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of (3R,5'S,6'R,7'aR)-5,5',6'-trihydroxy-6-methoxy-1'-methylspiro[2-benzofuran-3,7'-3,5,6,7a-tetrahydro-2H-indole]-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/be247a60-8570-11ee-9b88-498c6e8ba39b.jpg "2D Structure of (3R,5'S,6'R,7'aR)-5,5',6'-trihydroxy-6-methoxy-1'-methylspiro[2-benzofuran-3,7'-3,5,6,7a-tetrahydro-2H-indole]-1-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.03% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.46% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.99% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.70% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.70% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.83% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.95% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.55% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.31% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.42% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.90% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.82% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.80% | 82.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.90% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.78% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.02% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.69% | 93.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.33% | 91.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.92% | 99.23% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.92% | 91.96% |
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.
| Hosta plantaginea |
| PubChem | 23642914 |
| LOTUS | LTS0067772 |
| wikiData | Q105028618 |