(3aS,6S,7aS)-3a-[6-[[(1R,12S,14S)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-4-yl]methyl]-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-2,6,7,7a-tetrahydroindol-3-one
| Internal ID | 787deccf-2dfb-443d-b8d9-8d3fffa05954 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Galanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | (3aS,6S,7aS)-3a-[6-[[(1R,12S,14S)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-4-yl]methyl]-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-2,6,7,7a-tetrahydroindol-3-one |
| SMILES (Canonical) | CN1CC(=O)C2(C1CC(C=C2)OC)C3=CC4=C(C=C3CN5CCC67CCC(CC6OC8=C(C=CC(=C78)C5)OC)O)OCO4 |
| SMILES (Isomeric) | CN1CC(=O)[C@]2([C@@H]1C[C@@H](C=C2)OC)C3=CC4=C(C=C3CN5CC[C@@]67CC[C@@H](C[C@@H]6OC8=C(C=CC(=C78)C5)OC)O)OCO4 |
| InChI | InChI=1S/C34H40N2O7/c1-35-18-29(38)34(9-7-23(39-2)14-28(34)35)24-15-27-26(41-19-42-27)12-21(24)17-36-11-10-33-8-6-22(37)13-30(33)43-32-25(40-3)5-4-20(16-36)31(32)33/h4-5,7,9,12,15,22-23,28,30,37H,6,8,10-11,13-14,16-19H2,1-3H3/t22-,23+,28-,30-,33-,34-/m0/s1 |
| InChI Key | GCZMAMNLUPNIJZ-HZVBIUAKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H40N2O7 |
| Molecular Weight | 588.70 g/mol |
| Exact Mass | 588.28355162 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (3aS,6S,7aS)-3a-[6-[[(1R,12S,14S)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-4-yl]methyl]-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-2,6,7,7a-tetrahydroindol-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/24b12550-8697-11ee-8e2b-1fd76928ee9e.jpg "2D Structure of (3aS,6S,7aS)-3a-[6-[[(1R,12S,14S)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-4-yl]methyl]-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-2,6,7,7a-tetrahydroindol-3-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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.12% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.81% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.52% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.02% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.07% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.86% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.58% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.31% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.16% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.67% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.55% | 90.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 90.40% | 89.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.26% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.23% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.93% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.18% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.69% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.63% | 97.09% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 88.37% | 90.95% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 88.04% | 85.83% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.00% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.99% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.36% | 83.82% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.35% | 92.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.04% | 91.03% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 84.79% | 87.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.76% | 97.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.60% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.90% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.83% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.47% | 82.67% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 81.20% | 98.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.89% | 97.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.78% | 82.38% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.33% | 98.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.19% | 96.38% |
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.
| Narcissus pallidiflorus |
| PubChem | 162879277 |
| LOTUS | LTS0229871 |
| wikiData | Q105006579 |