(11S)-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.213,16.13,7.118,22.06,11.028,32]hexatriaconta-1(30),3,5,7(36),13(35),14,16(34),18,20,22(33),24,28,31-tridecaen-4-ol
| Internal ID | 924a239c-cbd1-4a55-a90a-6303d7decfa1 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (11S)-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.213,16.13,7.118,22.06,11.028,32]hexatriaconta-1(30),3,5,7(36),13(35),14,16(34),18,20,22(33),24,28,31-tridecaen-4-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H41N2O6/c1-39-15-13-25-20-34(43-5)36-22-28(25)30(39)17-24-9-12-33(42-4)35(19-24)45-26-10-7-23(8-11-26)18-31-29-21-32(41)38(46-36)37(44-6)27(29)14-16-40(31,2)3/h7-12,19-22,31H,13-18H2,1-6H3/q+1/p+1/t31-/m0/s1 |
| InChI Key | AHRCPZKEUMXXKB-HKBQPEDESA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42N2O6+2 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.30428706 g/mol |
| Topological Polar Surface Area (TPSA) | 69.40 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (11S)-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.213,16.13,7.118,22.06,11.028,32]hexatriaconta-1(30),3,5,7(36),13(35),14,16(34),18,20,22(33),24,28,31-tridecaen-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/06e42330-8535-11ee-97ce-cbcd2630869f.jpg "2D Structure of (11S)-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.213,16.13,7.118,22.06,11.028,32]hexatriaconta-1(30),3,5,7(36),13(35),14,16(34),18,20,22(33),24,28,31-tridecaen-4-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 | 98.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.34% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.56% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.91% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.30% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.19% | 89.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.85% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.92% | 99.17% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.83% | 91.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.46% | 91.49% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 89.59% | 97.31% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.30% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.00% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.96% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.75% | 92.98% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.06% | 95.78% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.40% | 95.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.74% | 95.56% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.70% | 95.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.38% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.37% | 90.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.35% | 92.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.36% | 97.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.17% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.59% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.23% | 89.50% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.01% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.34% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.13% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.90% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.72% | 89.62% |
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.
| Nephroia orbiculata |
| PubChem | 11467718 |
| LOTUS | LTS0136667 |
| wikiData | Q104912413 |