2-[3-(6,10-Dimethylundeca-1,3,5,9-tetraen-2-yl)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal
| Internal ID | 2d1cb7d8-f7f8-4e04-8762-f4686f0d00f6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 2-[3-(6,10-dimethylundeca-1,3,5,9-tetraen-2-yl)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal |
| SMILES (Canonical) | CC(=CCCC(=CC=CC(=C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CC=CC(=C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)C)C |
| InChI | InChI=1S/C30H46O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)26-16-18-30(28(26)33)27(14-9-19-31)25(24(5)20-32)15-17-29(30,6)34/h8,10,12-13,20,26-28,31,33-34H,4,7,9,11,14-19H2,1-3,5-6H3 |
| InChI Key | CKYPHBIOFUNLLX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 2-[3-(6,10-Dimethylundeca-1,3,5,9-tetraen-2-yl)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal](https://plantaedb.com/storage/docs/compounds/2023/11/1c40fa40-85a7-11ee-adf2-39a9ef5d945b.jpg "2D Structure of 2-[3-(6,10-Dimethylundeca-1,3,5,9-tetraen-2-yl)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.16% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.43% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.48% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.27% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.29% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.22% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.60% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.26% | 92.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.45% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.17% | 97.93% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 82.69% | 91.67% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.88% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.62% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.22% | 95.56% |
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.
| Iris domestica |
| Iris foetidissima |
| Tigridia pavonia |
| PubChem | 3732651 |
| LOTUS | LTS0079848 |
| wikiData | Q104665525 |