(7S)-6'-methylspiro[6H-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-9-one
| Internal ID | ea156e93-63c2-4931-946c-1bacf5177bf0 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (7S)-6'-methylspiro[6H-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-9-one |
| SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C14CC5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2[C@@]14CC5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
| InChI | InChI=1S/C20H17NO6/c1-21-5-4-11-6-15-16(25-9-24-15)7-13(11)20(21)8-12-2-3-14-18(26-10-23-14)17(12)19(22)27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1 |
| InChI Key | FMSAUXVLMOWFGE-FQEVSTJZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H17NO6 |
| Molecular Weight | 367.40 g/mol |
| Exact Mass | 367.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (7S)-6'-methylspiro[6H-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/4a2020a0-842c-11ee-806c-1324b1d37359.jpg "2D Structure of (7S)-6'-methylspiro[6H-[1,3]dioxolo[4,5-h]isochromene-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.45% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.88% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.20% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.21% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.18% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.86% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.09% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.05% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.58% | 95.17% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 84.46% | 81.29% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.45% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.57% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.35% | 94.80% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.05% | 97.50% |
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.
| Hypecoum leptocarpum |
| PubChem | 163036614 |
| LOTUS | LTS0095732 |
| wikiData | Q104998011 |