9,25-Dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-10,21-diol
Internal ID | 6c80db3e-a9e6-4a0e-aee0-9d3deccd9732 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
IUPAC Name | 9,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-10,21-diol |
SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5OC)O)C)OC |
SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5OC)O)C)OC |
InChI | InChI=1S/C36H38N2O6/c1-37-13-11-23-19-32(41-3)33-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(18-30(40)35(36)42-4)12-14-38(2)28(34)16-22-7-10-29(39)31(17-22)44-33/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3 |
InChI Key | VEUOIPBBNWROKF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H38N2O6 |
Molecular Weight | 594.70 g/mol |
Exact Mass | 594.27298694 g/mol |
Topological Polar Surface Area (TPSA) | 83.90 Ų |
XlogP | 6.00 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.36% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 95.81% | 95.62% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.31% | 91.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.65% | 93.40% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.62% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.34% | 82.38% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.65% | 92.94% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.55% | 89.00% |
CHEMBL2535 | P11166 | Glucose transporter | 87.33% | 98.75% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.29% | 89.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.26% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.06% | 90.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.54% | 85.14% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.29% | 80.78% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.13% | 94.00% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.32% | 100.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.61% | 91.03% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.05% | 82.67% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.93% | 89.50% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.58% | 99.17% |
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.
Cyclea wattii |
PubChem | 12303188 |
LOTUS | LTS0215226 |
wikiData | Q105284872 |