Cularine
| Internal ID | 414ba09d-ac1f-4f53-8323-104c455cf9e9 |
| Taxonomy | Alkaloids and derivatives > Cularin alkaloids and derivatives |
| IUPAC Name | (10S)-5,6,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC |
| InChI | InChI=1S/C20H23NO4/c1-21-8-7-12-5-6-15(22-2)20-19(12)14(21)9-13-10-17(23-3)18(24-4)11-16(13)25-20/h5-6,10-11,14H,7-9H2,1-4H3/t14-/m0/s1 |
| InChI Key | DTMXRZMJFCVJQS-AWEZNQCLSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 3.30 |
| (+)-Cularine |
| 479-39-0 |
| GHR9KA38RT |
| 1H-(1)Benzoxepino(2,3,4-ij)isoquinoline, 2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (S)- |
| 1H-[1]Benzoxepino[2,3,4-ij]isoquinoline, 2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (S)- |
| UNII-GHR9KA38RT |
| CHEBI:3958 |
| DTXSID80963962 |
| DTMXRZMJFCVJQS-AWEZNQCLSA-N |
| AKOS040745685 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.01% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.06% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.46% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.82% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.35% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.21% | 86.33% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 89.21% | 90.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.93% | 95.89% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 87.60% | 96.76% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.58% | 91.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.42% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.68% | 95.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.59% | 98.95% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.44% | 96.86% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.16% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.98% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.34% | 95.12% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.72% | 92.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.46% | 85.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.42% | 95.53% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.12% | 93.65% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.62% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.17% | 82.38% |
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.
| Ceratocapnos claviculata |
| Sarcocapnos crassifolia |
| Sarcocapnos enneaphylla |
| Sarcocapnos enneaphylla subsp. saetabensis |
| PubChem | 94150 |
| LOTUS | LTS0112187 |
| wikiData | Q27106275 |