3-[4,8-Dimethyl-5-(6-methylhept-5-en-2-yl)-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
| Internal ID | 6027a816-c7a9-4e37-b449-0eeef8b3d046 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-[4,8-dimethyl-5-(6-methylhept-5-en-2-yl)-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)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C |
| SMILES (Isomeric) | CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C |
| InChI | InChI=1S/C30H48O2/c1-20(2)9-8-10-22(5)24-13-15-28(7)25-12-11-23(21(3)4)29(16-14-26(31)32)19-30(25,29)18-17-27(24,28)6/h9,22-25H,3,8,10-19H2,1-2,4-7H3,(H,31,32) |
| InChI Key | KNVUFXYCGYEIRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 9.80 |
| There are no found synonyms. |
![2D Structure of 3-[4,8-Dimethyl-5-(6-methylhept-5-en-2-yl)-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/ce25e930-8781-11ee-90ee-f9633989e187.jpg "2D Structure of 3-[4,8-Dimethyl-5-(6-methylhept-5-en-2-yl)-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.62% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.05% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.33% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.04% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.80% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.28% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.11% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.95% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.27% | 98.10% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.20% | 96.38% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.93% | 97.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.66% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.47% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.01% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.72% | 96.47% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.43% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.24% | 91.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.16% | 98.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.03% | 97.50% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.59% | 95.69% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.28% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.97% | 99.35% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.70% | 94.78% |
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.
| Gardenia aubryi |
| Gardenia sootepensis |
| Gardenia thailandica |
| Kadsura coccinea |
| PubChem | 56664437 |
| LOTUS | LTS0089683 |
| wikiData | Q105143614 |