1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-[(4S)-4,5-dihydroxy-4-methylpentyl]-2-hydroxybutanedioate
| Internal ID | e6bf5468-04b4-4cf8-8581-d2f3d0b58094 |
| Taxonomy | Alkaloids and derivatives > Cephalotaxus alkaloids |
| IUPAC Name | 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-[(4S)-4,5-dihydroxy-4-methylpentyl]-2-hydroxybutanedioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H39NO10/c1-27(34,16-31)7-4-9-29(35,15-23(32)37-3)26(33)40-25-22(36-2)14-28-8-5-10-30(28)11-6-18-12-20-21(39-17-38-20)13-19(18)24(25)28/h12-14,24-25,31,34-35H,4-11,15-17H2,1-3H3/t24-,25-,27+,28+,29-/m1/s1 |
| InChI Key | DNSQKRKBQQZTRY-KTUPGFDPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H39NO10 |
| Molecular Weight | 561.60 g/mol |
| Exact Mass | 561.25739644 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-[(4S)-4,5-dihydroxy-4-methylpentyl]-2-hydroxybutanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/047673e0-8509-11ee-83e1-99caa5f13e5a.jpg "2D Structure of 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-[(4S)-4,5-dihydroxy-4-methylpentyl]-2-hydroxybutanedioate")
| 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 | 99.21% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.88% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.81% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.78% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.04% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.07% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.39% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.16% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.41% | 91.03% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.27% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.62% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.36% | 98.75% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 86.89% | 90.95% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 86.73% | 95.55% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.12% | 90.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.48% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.32% | 96.90% |
| CHEMBL5028 | O14672 | ADAM10 | 85.02% | 97.50% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.85% | 96.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.81% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.61% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.88% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.35% | 91.07% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.12% | 93.18% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.60% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.38% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.13% | 95.83% |
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 | 11028131 |
| LOTUS | LTS0136666 |
| wikiData | Q104985719 |