(2S,3S,9S,10S,12S)-12,20-dimethoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-9-ol
| Internal ID | a037d8c9-07e6-4c4d-800f-00f3a2fa0a82 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Homolycorine-type amaryllidaceae alkaloids |
| IUPAC Name | (2S,3S,9S,10S,12S)-12,20-dimethoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-9-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H23NO6/c1-20-5-4-9-6-11(21)16-14(15(9)20)13-10(19(23-3)26-16)7-12-17(18(13)22-2)25-8-24-12/h6-7,11,14-16,19,21H,4-5,8H2,1-3H3/t11-,14-,15+,16+,19-/m0/s1 |
| InChI Key | KHGRVWYCPNVQPH-MXZRBDGUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H23NO6 |
| Molecular Weight | 361.40 g/mol |
| Exact Mass | 361.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (2S,3S,9S,10S,12S)-12,20-dimethoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1b9d5960-85fb-11ee-8337-0325602d2e2a.jpg "2D Structure of (2S,3S,9S,10S,12S)-12,20-dimethoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-9-ol")
| 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 | 97.90% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.24% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.36% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.28% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.28% | 83.82% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.47% | 96.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.79% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.48% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.94% | 90.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.58% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.46% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.08% | 94.45% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.74% | 82.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.03% | 89.62% |
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.
| There are no matching plants. |
| PubChem | 163004522 |
| LOTUS | LTS0217771 |
| wikiData | Q105141147 |