(1R)-20,25-dimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tridecaene-6,21-diol
Internal ID | 7259c69a-1d32-4ebf-85ec-2f0e97d5150a |
Taxonomy | Lignans, neolignans and related compounds |
IUPAC Name | (1R)-20,25-dimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tridecaene-6,21-diol |
SMILES (Canonical) | COC1=C2C=C3C(CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O2)O)OC)C=C5)NCCC3=C1 |
SMILES (Isomeric) | COC1=C2C=C3[C@@H](CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O2)O)OC)C=C5)NCCC3=C1 |
InChI | InChI=1S/C34H32N2O6/c1-39-29-16-21-9-11-35-25-14-20-5-8-27(37)28(15-20)41-23-6-3-19(4-7-23)13-26-32-22(10-12-36-26)17-31(40-2)33(38)34(32)42-30(29)18-24(21)25/h3-8,15-18,25,35,37-38H,9-14H2,1-2H3/t25-/m1/s1 |
InChI Key | KWEYISWYFYQDJC-RUZDIDTESA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H32N2O6 |
Molecular Weight | 564.60 g/mol |
Exact Mass | 564.22603674 g/mol |
Topological Polar Surface Area (TPSA) | 102.00 Ų |
XlogP | 5.00 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.20% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.80% | 96.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 97.72% | 96.21% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.91% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.97% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.55% | 92.94% |
CHEMBL2581 | P07339 | Cathepsin D | 91.48% | 98.95% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.30% | 93.99% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.66% | 99.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.58% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.31% | 92.62% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.88% | 85.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.60% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.10% | 94.00% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.01% | 95.78% |
CHEMBL2535 | P11166 | Glucose transporter | 84.43% | 98.75% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.35% | 99.23% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.11% | 95.64% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.85% | 95.56% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.72% | 91.79% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.75% | 86.33% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.42% | 91.00% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.37% | 82.67% |
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.
Albertisia papuana |
PubChem | 162909555 |
LOTUS | LTS0135994 |
wikiData | Q105146900 |