(5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl) benzoate
| Internal ID | b7788678-3719-403f-a528-ef83a0d97b1f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl) benzoate |
| SMILES (Canonical) | CC(C)C1=CC2=CC=C3C(C(CCC3(C2=C(C1=O)O)C)OC(=O)C4=CC=CC=C4)(C)C |
| SMILES (Isomeric) | CC(C)C1=CC2=CC=C3C(C(CCC3(C2=C(C1=O)O)C)OC(=O)C4=CC=CC=C4)(C)C |
| InChI | InChI=1S/C27H30O4/c1-16(2)19-15-18-11-12-20-26(3,4)21(31-25(30)17-9-7-6-8-10-17)13-14-27(20,5)22(18)24(29)23(19)28/h6-12,15-16,21,29H,13-14H2,1-5H3 |
| InChI Key | KCFFKDXTABUTPF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O4 |
| Molecular Weight | 418.50 g/mol |
| Exact Mass | 418.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
| 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 | 97.53% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.62% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.28% | 94.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.97% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.78% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.45% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.86% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.75% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.20% | 96.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.88% | 85.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.68% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.67% | 82.69% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.57% | 94.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.34% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.17% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.16% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.12% | 97.14% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.04% | 94.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.89% | 93.03% |
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.
| Hoslundia opposita |
| PubChem | 85153781 |
| LOTUS | LTS0212062 |
| wikiData | Q105138705 |