Demethylfruticulin A
| Internal ID | dad4d69e-bb1b-45c4-adfc-9a54014f5152 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 7,14-dihydroxy-12-methyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),2,6,8,12,14-hexaene-4,5-dione |
| SMILES (Canonical) | CC1=CC(=CC2=C1CC=C3C(=C2)C(=O)C(=O)C(=C3O)C(C)C)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1CC=C3C(=C2)C(=O)C(=O)C(=C3O)C(C)C)O |
| InChI | InChI=1S/C19H18O4/c1-9(2)16-17(21)14-5-4-13-10(3)6-12(20)7-11(13)8-15(14)18(22)19(16)23/h5-9,20-21H,4H2,1-3H3 |
| InChI Key | DCRQQKPWFBDFPA-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C19H18O4 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 2.80 |
| NSC625554 |
| NSC-625554 |
| 3,7-Dihydroxy-2-isopropyl-9-methyl-1H-dibenzo[a,d]cycloheptene-1,4(10H)-dione |
| 2,9-dihydroxy-3-isopropyl-7-methyl-6H-dibenzo[[?],[?]][7]annulene-1,4-dione |
| 7,14-dihydroxy-12-methyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),2,6,8,12,14-hexaene-4,5-dione |
| 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 | 95.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.19% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.61% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.35% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.68% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.85% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.48% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.15% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.62% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.01% | 99.23% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.60% | 96.12% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.48% | 93.65% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.89% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.15% | 93.56% |
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.
| Salvia fruticulosa |
| PubChem | 362045 |
| LOTUS | LTS0046518 |
| wikiData | Q104975811 |