[(1R,2S,3E,5S,6S,10S,18R,19S,21S)-10,15-dihydroxy-6,18,21-trimethoxy-2,4,10,19-tetramethyl-8-methylidene-11-oxo-22-oxa-12-azatricyclo[11.8.2.017,23]tricosa-3,13(23),16-trien-5-yl] carbamate
| Internal ID | 9978beec-849c-4844-a381-a21c6e9e7652 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | [(1R,2S,3E,5S,6S,10S,18R,19S,21S)-10,15-dihydroxy-6,18,21-trimethoxy-2,4,10,19-tetramethyl-8-methylidene-11-oxo-22-oxa-12-azatricyclo[11.8.2.017,23]tricosa-3,13(23),16-trien-5-yl] carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46N2O9/c1-15-9-22(37-6)26(41-29(31)35)17(3)10-16(2)25-23(38-7)11-18(4)24(39-8)20-12-19(33)13-21(27(20)40-25)32-28(34)30(5,36)14-15/h10,12,16,18-19,22-26,33,36H,1,9,11,13-14H2,2-8H3,(H2,31,35)(H,32,34)/b17-10+/t16-,18-,19?,22-,23-,24+,25+,26-,30-/m0/s1 |
| InChI Key | KBIFINDUNITTCG-RXYNMYNUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H46N2O9 |
| Molecular Weight | 578.70 g/mol |
| Exact Mass | 578.32033105 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,3E,5S,6S,10S,18R,19S,21S)-10,15-dihydroxy-6,18,21-trimethoxy-2,4,10,19-tetramethyl-8-methylidene-11-oxo-22-oxa-12-azatricyclo[11.8.2.017,23]tricosa-3,13(23),16-trien-5-yl] carbamate](https://plantaedb.com/storage/docs/compounds/2023/11/c06f0ba0-8647-11ee-950b-25dc04fda6b5.jpg "2D Structure of [(1R,2S,3E,5S,6S,10S,18R,19S,21S)-10,15-dihydroxy-6,18,21-trimethoxy-2,4,10,19-tetramethyl-8-methylidene-11-oxo-22-oxa-12-azatricyclo[11.8.2.017,23]tricosa-3,13(23),16-trien-5-yl] carbamate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.38% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.25% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.24% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.08% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.26% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.57% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.48% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.02% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.88% | 97.79% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.24% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.85% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.82% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.79% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.87% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.06% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.45% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.65% | 95.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.22% | 97.28% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.13% | 91.07% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.06% | 93.04% |
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.
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| There are no matching plants. |
| PubChem | 163191060 |
| LOTUS | LTS0025040 |
| wikiData | Q105138252 |