Isofangchinoline
Internal ID | 7c75c61b-9e7c-4202-bb04-e4a81d68d99f |
Taxonomy | Lignans, neolignans and related compounds |
IUPAC Name | 9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol |
SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC |
SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC |
InChI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3 |
InChI Key | IIQSJHUEZBTSAT-UHFFFAOYSA-N |
Popularity | 102 references in papers |
Molecular Formula | C37H40N2O6 |
Molecular Weight | 608.70 g/mol |
Exact Mass | 608.28863700 g/mol |
Topological Polar Surface Area (TPSA) | 72.90 Ų |
XlogP | 6.10 |
Isofangchinoline |
33889-68-8 |
THALRUGOSINE |
Limacine |
Thalrugosine;Thaligine |
Frangchinoline |
NSC277171 |
NSC-277171 |
7-O-Demethyltetrandine |
6,6',12-trimethoxy-2,2'-dimethylberbaman-7-ol |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 99.54% | 96.09% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.15% | 91.00% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 95.07% | 95.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.39% | 91.11% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.96% | 93.99% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.21% | 89.62% |
CHEMBL2581 | P07339 | Cathepsin D | 90.80% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.34% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.30% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.95% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.81% | 94.45% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.50% | 95.89% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.04% | 82.38% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.65% | 89.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.19% | 93.40% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.06% | 90.71% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.94% | 95.78% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.44% | 86.33% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.25% | 92.94% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.95% | 94.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.56% | 90.00% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.38% | 90.95% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.31% | 100.00% |
CHEMBL2535 | P11166 | Glucose transporter | 83.07% | 98.75% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.89% | 89.50% |
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.
PubChem | 321937 |
LOTUS | LTS0155371 |
wikiData | Q72478063 |