4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-propan-2-ylidene-3,5,6,7,12a,12b-hexahydro-2H-naphtho[1,2-b]chromene-9,11-dicarbaldehyde
| Internal ID | b5ecf9d5-5e63-48ce-a939-0ceb70d2094b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-propan-2-ylidene-3,5,6,7,12a,12b-hexahydro-2H-naphtho[1,2-b]chromene-9,11-dicarbaldehyde |
| SMILES (Canonical) | CC(C)CC1C2=C(C(=C(C(=C2OC3C1(CCC4(C3C(=C(C)C)CCC4=C)O)C)C=O)O)C=O)O |
| SMILES (Isomeric) | CC(C)CC1C2=C(C(=C(C(=C2OC3C1(CCC4(C3C(=C(C)C)CCC4=C)O)C)C=O)O)C=O)O |
| InChI | InChI=1S/C28H36O6/c1-14(2)11-20-21-24(32)18(12-29)23(31)19(13-30)25(21)34-26-22-17(15(3)4)8-7-16(5)28(22,33)10-9-27(20,26)6/h12-14,20,22,26,31-33H,5,7-11H2,1-4,6H3 |
| InChI Key | LLCSUGKJCVVJBS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36O6 |
| Molecular Weight | 468.60 g/mol |
| Exact Mass | 468.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-propan-2-ylidene-3,5,6,7,12a,12b-hexahydro-2H-naphtho[1,2-b]chromene-9,11-dicarbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/90126f40-8764-11ee-8714-e71c1449409d.jpg "2D Structure of 4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-propan-2-ylidene-3,5,6,7,12a,12b-hexahydro-2H-naphtho[1,2-b]chromene-9,11-dicarbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.22% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.86% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.40% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.03% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.38% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.35% | 89.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.75% | 95.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.16% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.38% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.19% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.69% | 96.90% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.34% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.59% | 93.40% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.33% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.99% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.92% | 98.59% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.87% | 89.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.75% | 95.38% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.64% | 95.34% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.58% | 83.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.30% | 93.56% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.08% | 97.47% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.06% | 85.11% |
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.
| Eucalyptus globulus |
| PubChem | 163011979 |
| LOTUS | LTS0096351 |
| wikiData | Q105153420 |