Labd-7-en-15-oic acid, 6-oxo-, methyl ester
| Internal ID | 76c602d5-c40e-4cd6-8cd9-9553a14fd6dc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 5-(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpentanoate |
| SMILES (Canonical) | CC1=CC(=O)C2C(CCCC2(C1CCC(C)CC(=O)OC)C)(C)C |
| SMILES (Isomeric) | CC1=CC(=O)C2C(CCCC2(C1CCC(C)CC(=O)OC)C)(C)C |
| InChI | InChI=1S/C21H34O3/c1-14(12-18(23)24-6)8-9-16-15(2)13-17(22)19-20(3,4)10-7-11-21(16,19)5/h13-14,16,19H,7-12H2,1-6H3 |
| InChI Key | QMLICBDWONMOSK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O3 |
| Molecular Weight | 334.50 g/mol |
| Exact Mass | 334.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 5.20 |
| QMLICBDWONMOSK-UHFFFAOYSA-N |
| 1-Naphthalenepentanoic acid, 1,4,4a,5,6,7,8,8a-octahydro-.beta.,2,5,5,8a-pentamethyl-4-oxo-, methyl ester, [1S-[1.alpha.(R*),4a.beta.,8a.alpha.]]- |
| Methyl 5-(2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)-3-methylpentanoate # |
| 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 | 96.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.81% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.43% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.28% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.82% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.60% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.84% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.80% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.27% | 93.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.16% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.75% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.60% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.71% | 96.43% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.59% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.52% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.98% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.24% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.35% | 96.47% |
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.
| Cistus ladanifer |
| PubChem | 630546 |
| LOTUS | LTS0047750 |
| wikiData | Q105224043 |