(1R,14R)-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),18,20,22(33),24,26,31-dodecaene-6,21-diol
Internal ID | d63cd13c-e799-4b48-aaa4-0068deccdfe6 |
Taxonomy | Lignans, neolignans and related compounds |
IUPAC Name | (1R,14R)-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),18,20,22(33),24,26,31-dodecaene-6,21-diol |
SMILES (Canonical) | COC1=C2C=C3C(CC4=CC(=C(C=C4)O)OC5=CC=C(CC6C7=C(O2)C(=C(C=C7CCN6)OC)O)C=C5)NCCC3=C1 |
SMILES (Isomeric) | COC1=C2C=C3[C@@H](CC4=CC(=C(C=C4)O)OC5=CC=C(C[C@@H]6C7=C(O2)C(=C(C=C7CCN6)OC)O)C=C5)NCCC3=C1 |
InChI | InChI=1S/C34H34N2O6/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/h3-8,15-18,25-26,35-38H,9-14H2,1-2H3/t25-,26-/m1/s1 |
InChI Key | GLFWWHBCNFFMFP-CLJLJLNGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H34N2O6 |
Molecular Weight | 566.60 g/mol |
Exact Mass | 566.24168681 g/mol |
Topological Polar Surface Area (TPSA) | 101.00 Ų |
XlogP | 5.10 |
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 | 97.78% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.04% | 94.45% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.80% | 92.94% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.63% | 93.99% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.74% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.55% | 95.89% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.58% | 91.00% |
CHEMBL2581 | P07339 | Cathepsin D | 86.50% | 98.95% |
CHEMBL2535 | P11166 | Glucose transporter | 86.09% | 98.75% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.78% | 91.79% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.67% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.48% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.45% | 99.17% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.37% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.23% | 89.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.81% | 89.62% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 81.86% | 95.62% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.57% | 94.00% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.07% | 89.44% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.11% | 91.49% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.03% | 99.15% |
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 | 162965869 |
LOTUS | LTS0142342 |
wikiData | Q105010879 |