Gyrolidine
| Internal ID | 735e0083-7088-4eb1-81a0-d90aec967c60 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (1S,14R)-6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC |
| InChI | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1 |
| InChI Key | FBCXFKWMGIWMJQ-XZWHSSHBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42N2O6 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.30428706 g/mol |
| Topological Polar Surface Area (TPSA) | 61.90 Ų |
| XlogP | 6.70 |
| 39020-36-5 |
| 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 | 99.42% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.28% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.92% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.34% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.28% | 89.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.01% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.50% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.54% | 93.40% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.88% | 92.98% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.34% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.19% | 94.45% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.18% | 97.31% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.16% | 95.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.02% | 98.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.88% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.60% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.42% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.37% | 89.50% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.93% | 90.95% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.76% | 96.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.58% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.55% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.22% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.35% | 94.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.41% | 95.53% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.37% | 92.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.20% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.63% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.22% | 90.00% |
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.
| Gyrocarpus americanus |
| PubChem | 181609 |
| LOTUS | LTS0222303 |
| wikiData | Q104992571 |