(10S,13S)-5-[(3R,6R)-6-hydroxy-3,6,7-trimethyloct-1-en-3-yl]-13-(methoxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
| Internal ID | 65748bb4-9210-4837-ad8a-0aa3870f8b55 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (10S,13S)-5-[(3R,6R)-6-hydroxy-3,6,7-trimethyloct-1-en-3-yl]-13-(methoxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H45N3O3/c1-10-28(6,13-14-29(7,34)19(4)5)22-11-12-23-24-20(16-30-25(22)24)15-21(17-35-9)31-27(33)26(18(2)3)32(23)8/h10-12,16,18-19,21,26,30,34H,1,13-15,17H2,2-9H3,(H,31,33)/t21-,26-,28-,29+/m0/s1 |
| InChI Key | WEUZJJDCWFFQKO-ODNCIOQYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H45N3O3 |
| Molecular Weight | 483.70 g/mol |
| Exact Mass | 483.34609231 g/mol |
| Topological Polar Surface Area (TPSA) | 77.60 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (10S,13S)-5-[(3R,6R)-6-hydroxy-3,6,7-trimethyloct-1-en-3-yl]-13-(methoxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/6996c350-85f9-11ee-a452-87fa98a37e2b.jpg "2D Structure of (10S,13S)-5-[(3R,6R)-6-hydroxy-3,6,7-trimethyloct-1-en-3-yl]-13-(methoxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-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 | 98.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.79% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.69% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.92% | 94.45% |
| CHEMBL228 | P31645 | Serotonin transporter | 93.40% | 95.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.48% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.51% | 89.34% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.46% | 97.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.36% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.50% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.81% | 93.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.63% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.39% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.69% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.31% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.26% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.89% | 94.73% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.84% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.51% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.34% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.70% | 92.68% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.57% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.78% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.52% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.27% | 93.99% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.25% | 80.71% |
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 | 163188503 |
| LOTUS | LTS0079577 |
| wikiData | Q105303592 |