10,14,15-Trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaen-26-ol
| Internal ID | d885775d-ce12-425f-be1b-104e038209d8 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 10,14,15-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaen-26-ol |
| SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
| InChI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-33-32(41-3)21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3 |
| InChI Key | IXIJOMXDATTWCP-UHFFFAOYSA-N |
| Popularity | 0 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 | 6.30 |
| There are no found synonyms. |
![2D Structure of 10,14,15-Trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaen-26-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ea3cf6c0-84c5-11ee-964f-cb1efd6d841e.jpg "2D Structure of 10,14,15-Trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaen-26-ol")
| 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 | 99.44% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.61% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.68% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.82% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.81% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.74% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.26% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.36% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.57% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.55% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.60% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.93% | 82.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.64% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.92% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.91% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.54% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.85% | 90.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.44% | 96.76% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.60% | 100.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.45% | 82.67% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.41% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.31% | 92.94% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.87% | 80.78% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.78% | 95.78% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.65% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.25% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.41% | 90.71% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.99% | 91.79% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.84% | 99.15% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.49% | 91.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.48% | 86.33% |
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 flavum |
| Thalictrum minus subsp. thunbergii |
| PubChem | 12443374 |
| LOTUS | LTS0123441 |
| wikiData | Q105122190 |