(1R,12S)-7-hydroxy-12-[(1R,4R,12R,16S)-7-hydroxy-8-methoxy-18-oxo-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10,20-tetraen-9-yl]-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6(11),7,9-triene-4,16-dione
| Internal ID | 545267ab-f1b1-4fe2-95f5-2f557ee85a98 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1R,12S)-7-hydroxy-12-[(1R,4R,12R,16S)-7-hydroxy-8-methoxy-18-oxo-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10,20-tetraen-9-yl]-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6(11),7,9-triene-4,16-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H38N4O8/c1-3-25(43)40-24-8-11-33-10-5-16-39-17-14-35(24,37(33,39)49-27(45)19-33)21-18-22(31(48-2)30(46)29(21)40)34-13-15-38-36(32(34)47)12-9-26(44)41(36)28-20(34)6-4-7-23(28)42/h4-7,10,18,24,38,42,46H,3,8-9,11-17,19H2,1-2H3/t24-,33-,34+,35-,36-,37+/m1/s1 |
| InChI Key | NZMGEZAQKYJJHP-LHWQSBKVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H38N4O8 |
| Molecular Weight | 666.70 g/mol |
| Exact Mass | 666.26896418 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1R,12S)-7-hydroxy-12-[(1R,4R,12R,16S)-7-hydroxy-8-methoxy-18-oxo-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10,20-tetraen-9-yl]-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6(11),7,9-triene-4,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/b3b2b250-87b2-11ee-9078-157105bedfbe.jpg "2D Structure of (1R,12S)-7-hydroxy-12-[(1R,4R,12R,16S)-7-hydroxy-8-methoxy-18-oxo-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10,20-tetraen-9-yl]-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6(11),7,9-triene-4,16-dione")
| 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 | 99.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.15% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.03% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.56% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.26% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.39% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.02% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.75% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.05% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.66% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.49% | 85.14% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.27% | 93.18% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.51% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.27% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.26% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.43% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.38% | 90.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.27% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.48% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 83.93% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.58% | 90.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.20% | 97.28% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.78% | 92.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.67% | 90.24% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.24% | 97.50% |
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.
| Haplophyton cimicidum |
| PubChem | 162852010 |
| LOTUS | LTS0048154 |
| wikiData | Q105188265 |