seco-Hinokiol
| Internal ID | 5b4bdb59-5a11-4743-8e0c-8b4617f241f1 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 3-[(1S,2S)-7-hydroxy-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)CCC(C2(C)CCC(=O)O)C(=C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)CC[C@H]([C@]2(C)CCC(=O)O)C(=C)C)O |
| InChI | InChI=1S/C20H28O3/c1-12(2)15-10-14-6-7-16(13(3)4)20(5,9-8-19(22)23)17(14)11-18(15)21/h10-12,16,21H,3,6-9H2,1-2,4-5H3,(H,22,23)/t16-,20-/m0/s1 |
| InChI Key | QMBUAKNMOKTEHM-JXFKEZNVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.20 |
| 3-[(1S,2S)-7-hydroxy-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid |
| 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 | 99.54% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.51% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.82% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.02% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.15% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.45% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.77% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.91% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.18% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.90% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.36% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.90% | 96.47% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.70% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.89% | 93.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.31% | 100.00% |
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.
| Rosmarinus officinalis |
| PubChem | 11197877 |
| LOTUS | LTS0195873 |
| wikiData | Q105223902 |