6,20,25-Trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-21-ol
Internal ID | 9fc42c91-f609-487d-867b-6eab41aee2dd |
Taxonomy | Lignans, neolignans and related compounds |
IUPAC Name | 6,20,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-21-ol |
SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6=NCCC7=CC(=C(O3)C=C76)OC)OC)O)OC |
SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6=NCCC7=CC(=C(O3)C=C76)OC)OC)O)OC |
InChI | InChI=1S/C36H36N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,28,39H,11-16H2,1-4H3 |
InChI Key | KZYKOFMKCIQURT-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H36N2O6 |
Molecular Weight | 592.70 g/mol |
Exact Mass | 592.25733687 g/mol |
Topological Polar Surface Area (TPSA) | 82.00 Ų |
XlogP | 5.80 |
There are no found synonyms. |
![2D Structure of 6,20,25-Trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-21-ol 2D Structure of 6,20,25-Trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-21-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ebb1a4e0-851d-11ee-bcf0-b76ad36927fa.jpg)
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 | 99.70% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.13% | 91.49% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.26% | 95.89% |
CHEMBL2581 | P07339 | Cathepsin D | 94.12% | 98.95% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 93.02% | 95.78% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.94% | 91.00% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 90.57% | 95.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.45% | 91.11% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.23% | 97.53% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.06% | 92.94% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.04% | 82.38% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.84% | 95.56% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.80% | 93.40% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.72% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.89% | 99.17% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.48% | 90.95% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.66% | 93.99% |
CHEMBL5747 | Q92793 | CREB-binding protein | 86.10% | 95.12% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.78% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.28% | 90.71% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.15% | 97.33% |
CHEMBL2535 | P11166 | Glucose transporter | 82.33% | 98.75% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.96% | 95.53% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.90% | 89.00% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.87% | 100.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.52% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.22% | 86.33% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.97% | 89.62% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.88% | 92.62% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.76% | 90.00% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.24% | 99.18% |
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.
Caryomene olivascens |
PubChem | 74037068 |
LOTUS | LTS0225754 |
wikiData | Q105148510 |