(1R,14S)-9,19,20,21,25-pentamethoxy-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(33),19,21,24,26,31-dodecaene
Internal ID | ddb70b63-dbd4-4e25-b995-aa454fd13969 |
Taxonomy | Phenylpropanoids and polyketides > Tannins |
IUPAC Name | (1R,14S)-9,19,20,21,25-pentamethoxy-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(33),19,21,24,26,31-dodecaene |
SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC |
SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC |
InChI | InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30+/m1/s1 |
InChI Key | FUZMQNZACIFDBL-IHLOFXLRSA-N |
Popularity | 0 references in papers |
Molecular Formula | C39H44N2O7 |
Molecular Weight | 652.80 g/mol |
Exact Mass | 652.31485175 g/mol |
Topological Polar Surface Area (TPSA) | 71.10 Ų |
XlogP | 6.40 |
There are no found synonyms. |
![2D Structure of (1R,14S)-9,19,20,21,25-pentamethoxy-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(33),19,21,24,26,31-dodecaene 2D Structure of (1R,14S)-9,19,20,21,25-pentamethoxy-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(33),19,21,24,26,31-dodecaene](https://plantaedb.com/storage/docs/compounds/2023/11/1b8658a0-8320-11ee-bcce-b17cddcbb49f.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL4302 | P08183 | P-glycoprotein 1 |
1.59 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.06% | 96.09% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 96.13% | 91.00% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 92.30% | 95.62% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.89% | 93.40% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.58% | 82.38% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.22% | 93.99% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.56% | 86.33% |
CHEMBL5747 | Q92793 | CREB-binding protein | 88.10% | 95.12% |
CHEMBL2581 | P07339 | Cathepsin D | 87.88% | 98.95% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.35% | 89.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.67% | 94.45% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 86.03% | 90.95% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.55% | 95.53% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.25% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.96% | 95.78% |
CHEMBL2535 | P11166 | Glucose transporter | 84.34% | 98.75% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.17% | 89.50% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.15% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.76% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.10% | 91.11% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.81% | 100.00% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.33% | 95.34% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.19% | 90.00% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.05% | 93.65% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.95% | 92.38% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.89% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.27% | 94.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.09% | 97.25% |
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.
Thalictrum fendleri |
PubChem | 7098682 |
LOTUS | LTS0071609 |
wikiData | Q105002209 |