Dimethyl 15,17,18-trihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate
Internal ID | 78c8cccc-2093-4800-8032-31503598d4a0 |
Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
IUPAC Name | dimethyl 15,17,18-trihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate |
SMILES (Canonical) | COC1=CC=CC2=C1N(C34C25CCN6C5C(CC3)(C(CC6)O)C(C4(C(=O)OC)O)O)C(=O)OC |
SMILES (Isomeric) | COC1=CC=CC2=C1N(C34C25CCN6C5C(CC3)(C(CC6)O)C(C4(C(=O)OC)O)O)C(=O)OC |
InChI | InChI=1S/C24H30N2O8/c1-32-14-6-4-5-13-16(14)26(20(30)34-3)23-9-8-21(18(28)24(23,31)19(29)33-2)15(27)7-11-25-12-10-22(13,23)17(21)25/h4-6,15,17-18,27-28,31H,7-12H2,1-3H3 |
InChI Key | GDGFOGDXGVRMOU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H30N2O8 |
Molecular Weight | 474.50 g/mol |
Exact Mass | 474.20021592 g/mol |
Topological Polar Surface Area (TPSA) | 129.00 Ų |
XlogP | 0.50 |
There are no found synonyms. |
![2D Structure of Dimethyl 15,17,18-trihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate 2D Structure of Dimethyl 15,17,18-trihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/22f41520-876a-11ee-8ba5-dbc0fe2ade32.jpg)
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 | 99.25% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.09% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.61% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.30% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 91.13% | 98.95% |
CHEMBL5028 | O14672 | ADAM10 | 90.48% | 97.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.13% | 95.89% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.76% | 97.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.29% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 87.07% | 98.75% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.63% | 93.03% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.14% | 90.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.13% | 91.19% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.86% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.84% | 97.09% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.82% | 89.62% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.49% | 96.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.23% | 100.00% |
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.
Kopsia singapurensis |
Kopsia teoi |
PubChem | 74217998 |
LOTUS | LTS0134514 |
wikiData | Q105006693 |