Isotylocrebrine
| Internal ID | ae94bc65-4a25-47b2-9365-6978cbb89dd5 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthroindolizidines |
| IUPAC Name | 3,4,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC |
| InChI | InChI=1S/C24H27NO4/c1-26-20-8-7-15-16-10-14-6-5-9-25(14)13-19(16)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3 |
| InChI Key | ZRGRTHUWZSWRSQ-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.65% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.26% | 89.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 93.99% | 95.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.76% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.19% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 91.89% | 88.48% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.62% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.59% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.42% | 99.18% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.55% | 93.99% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 90.21% | 90.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.67% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.34% | 98.95% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 88.15% | 91.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.15% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.98% | 95.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.82% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.20% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.13% | 97.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.11% | 95.53% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.04% | 92.98% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.89% | 98.99% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.06% | 92.38% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 80.75% | 95.61% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.54% | 100.00% |
| CHEMBL6031 | Q9H9B1 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 | 80.24% | 94.33% |
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.
| Ficus septica |
| PubChem | 10408269 |
| LOTUS | LTS0190265 |
| wikiData | Q104397698 |