3-[5-(5-Hydroxy-6-methylhept-6-en-2-yl)-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
| Internal ID | 9621cefd-7233-4ab0-9ca5-c75a8c8d97c7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-[5-(5-hydroxy-6-methylhept-6-en-2-yl)-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid |
| SMILES (Canonical) | CC(CCC(C(=C)C)O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C |
| SMILES (Isomeric) | CC(CCC(C(=C)C)O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C |
| InChI | InChI=1S/C30H48O3/c1-19(2)22-9-11-25-28(7)14-12-23(21(5)8-10-24(31)20(3)4)27(28,6)16-17-30(25)18-29(22,30)15-13-26(32)33/h21-25,31H,1,3,8-18H2,2,4-7H3,(H,32,33) |
| InChI Key | AAYWYJTVGMRGJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of 3-[5-(5-Hydroxy-6-methylhept-6-en-2-yl)-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b0a8c890-86aa-11ee-9ddd-cb8481dba1bb.jpg "2D Structure of 3-[5-(5-Hydroxy-6-methylhept-6-en-2-yl)-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.90% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.85% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.64% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.53% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.89% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.36% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.14% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.85% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.84% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.19% | 96.47% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.14% | 98.10% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.82% | 96.38% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 85.76% | 97.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.60% | 96.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.02% | 97.93% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.37% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.25% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.02% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.01% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.76% | 95.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.46% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.10% | 90.00% |
| CHEMBL4683 | Q12884 | Fibroblast activation protein alpha | 80.65% | 93.07% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.48% | 98.75% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.40% | 95.71% |
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.
| Euphorbia humifusa |
| Kadsura coccinea |
| PubChem | 163004523 |
| LOTUS | LTS0084374 |
| wikiData | Q104908462 |