(6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-8-yl) 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate
| Internal ID | 80402f19-d4b5-4d6d-bed9-976c6c7fb07e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-8-yl) 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate |
| SMILES (Canonical) | CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=C(C2=O)OC(=O)C(=C)C4CCC5(CCCC(=C)C5C4)C)C |
| SMILES (Isomeric) | CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=C(C2=O)OC(=O)C(=C)C4CCC5(CCCC(=C)C5C4)C)C |
| InChI | InChI=1S/C30H36O5/c1-15-8-7-12-30(6)13-11-20(14-22(15)30)17(3)28(32)34-26-19(5)24-23(25(26)31)16(2)9-10-21-18(4)29(33)35-27(21)24/h20-22,24,27H,1,3-4,7-14H2,2,5-6H3 |
| InChI Key | NKGPIZLRWFGXLH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O5 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-8-yl) 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/0a20d840-865e-11ee-8ce7-37feaf31767b.jpg "2D Structure of (6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-8-yl) 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.19% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.18% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.08% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.05% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.79% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.55% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.87% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.43% | 90.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.27% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.20% | 93.03% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.04% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.94% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.15% | 91.24% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.08% | 95.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.84% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.53% | 92.62% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.45% | 96.61% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.70% | 95.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.46% | 97.50% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.22% | 94.78% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.19% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.00% | 94.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.86% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.24% | 100.00% |
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.
| Podachaenium eminens |
| PubChem | 163002494 |
| LOTUS | LTS0200379 |
| wikiData | Q105180580 |