(5S,5aS,11bS,11cS)-5,8,9,10-tetramethoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one
| Internal ID | d5e4cd7e-8083-45a7-910a-68df33c1e8ab |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Homolycorine-type amaryllidaceae alkaloids |
| IUPAC Name | (5S,5aS,11bS,11cS)-5,8,9,10-tetramethoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one |
| SMILES (Canonical) | CN1CCC2=CC(C3C(C21)C4=CC(=C(C(=C4C(=O)O3)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C[C@@H]([C@@H]3[C@H]([C@@H]21)C4=CC(=C(C(=C4C(=O)O3)OC)OC)OC)OC |
| InChI | InChI=1S/C20H25NO6/c1-21-7-6-10-8-12(23-2)17-14(16(10)21)11-9-13(24-3)18(25-4)19(26-5)15(11)20(22)27-17/h8-9,12,14,16-17H,6-7H2,1-5H3/t12-,14-,16+,17+/m0/s1 |
| InChI Key | TZCANGWSWWFHBQ-GUDXXQAFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO6 |
| Molecular Weight | 375.40 g/mol |
| Exact Mass | 375.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (5S,5aS,11bS,11cS)-5,8,9,10-tetramethoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/94363420-860b-11ee-bf94-37358b0e6258.jpg "2D Structure of (5S,5aS,11bS,11cS)-5,8,9,10-tetramethoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-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 | 96.88% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.43% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.26% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.85% | 93.40% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 92.45% | 96.86% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.57% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.17% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.27% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.10% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.41% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.01% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.95% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.45% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.76% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.72% | 89.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.42% | 99.23% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.38% | 96.76% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.14% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.24% | 98.95% |
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.
| Hippeastrum morelianum |
| PubChem | 162955653 |
| LOTUS | LTS0082171 |
| wikiData | Q105141081 |