6-[6-(2-Carboxyethyl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-3-yl]-2-methylhepta-2,6-dienoic acid
| Internal ID | a2afa0cf-8208-4966-9b74-9ae051cb5e4c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 6-[6-(2-carboxyethyl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-3-yl]-2-methylhepta-2,6-dienoic acid |
| SMILES (Canonical) | CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C(=C)CCC=C(C)C(=O)O)C)C |
| SMILES (Isomeric) | CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C(=C)CCC=C(C)C(=O)O)C)C |
| InChI | InChI=1S/C30H46O4/c1-19(2)23-14-18-30(7)25(28(23,5)16-15-26(31)32)12-11-24-22(13-17-29(24,30)6)20(3)9-8-10-21(4)27(33)34/h10,22-25H,1,3,8-9,11-18H2,2,4-7H3,(H,31,32)(H,33,34) |
| InChI Key | DQYLYINTYRNUAK-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) | 74.60 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of 6-[6-(2-Carboxyethyl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-3-yl]-2-methylhepta-2,6-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6b7e8670-83fb-11ee-a6b7-79e54b49093c.jpg "2D Structure of 6-[6-(2-Carboxyethyl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-3-yl]-2-methylhepta-2,6-dienoic acid")
| 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 | 97.36% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.94% | 96.61% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 92.12% | 93.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.93% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.17% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.47% | 96.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.73% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.42% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.65% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.75% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.92% | 95.56% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 80.89% | 97.34% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.80% | 97.86% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.16% | 97.09% |
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.
| Alnus japonica |
| PubChem | 162860442 |
| LOTUS | LTS0201990 |
| wikiData | Q104987281 |