Marinoic acid
| Internal ID | 969a2dc9-4848-445c-b623-a4701ed71463 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 7-hydroxy-1',9a-dimethyl-1-oxo-5'-(2-oxopyran-4-yl)spiro[4,5,5a,6,7,8,9,9b-octahydro-3aH-benzo[e][2]benzofuran-3,2'-cyclopentane]-1'-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30O7/c1-22-8-5-15(25)12-14(22)3-4-17-19(22)20(27)31-24(17)9-6-16(23(24,2)21(28)29)13-7-10-30-18(26)11-13/h7,10-11,14-17,19,25H,3-6,8-9,12H2,1-2H3,(H,28,29) |
| InChI Key | PIHCEVPSPPWILX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H30O7 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.30 |
| 167172-84-1 |
| 7-hydroxy-1',9a-dimethyl-1-oxo-5'-(2-oxopyran-4-yl)spiro[4,5,5a,6,7,8,9,9b-octahydro-3aH-benzo[e][2]benzofuran-3,2'-cyclopentane]-1'-carboxylic acid |
| DTXSID80937289 |
| 7'-Hydroxy-2,9'a-dimethyl-1'-oxo-3-(2-oxo-2H-pyran-4-yl)decahydro-1'H-spiro[cyclopentane-1,3'-naphtho[1,2-c]furan]-2-carboxylic acid |
| Spiro(cyclopentane-1,3'(1'H)-naphtho(1,2-c)furan)-2-carboxylic acid, decahydro-7'-hydroxy-2,9'a-dimethyl-1'-oxo-3-(2-oxo-2H-pyran-4-yl)- |
| 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 | 98.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.73% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.00% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.71% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.94% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.45% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.31% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.13% | 95.89% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.04% | 95.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.81% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.93% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.21% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.98% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.28% | 93.04% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.13% | 100.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.73% | 96.09% |
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.
| There are no matching plants. |
| PubChem | 178102 |
| LOTUS | LTS0050749 |
| wikiData | Q82913493 |