12-Hydroxy-13-methylpodocarpa-8,11,13-triene-3,7-dione
| Internal ID | d6b3e84d-3f8b-431c-a1fc-9d9961b1f76f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aS,10aR)-6-hydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C3(CCC(=O)C(C3CC2=O)(C)C)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)[C@]3(CCC(=O)C([C@@H]3CC2=O)(C)C)C |
| InChI | InChI=1S/C18H22O3/c1-10-7-11-12(8-13(10)19)18(4)6-5-16(21)17(2,3)15(18)9-14(11)20/h7-8,15,19H,5-6,9H2,1-4H3/t15-,18+/m0/s1 |
| InChI Key | MMQUEGKYQBCKLZ-MAUKXSAKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O3 |
| Molecular Weight | 286.40 g/mol |
| Exact Mass | 286.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 3.00 |
| Nimbinone |
| 12-hydroxy-13-methylpodocarpa-8,11,13-triene-3,7-dione |
| DTXSID10922067 |
| 2,9(1H,3H)-Phenanthrenedione, 4,4a,10,10a-tetrahydro-6-hydroxy-1,1,4a,7-tetramethyl-, (4aS-trans)- |
| 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 | 96.99% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.19% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.97% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.04% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.69% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.47% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.03% | 99.15% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.91% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.68% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.58% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.15% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.27% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.18% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.08% | 92.94% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.16% | 96.39% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.82% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.72% | 93.04% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.25% | 95.38% |
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.
| Azadirachta indica |
| PubChem | 189403 |
| LOTUS | LTS0089103 |
| wikiData | Q82895355 |