(1S,3S)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Internal ID | efd18b07-e866-4bed-b0ed-af86f0c423ee |
Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
IUPAC Name | (1S,3S)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol |
SMILES (Canonical) | CC1CC2=C(C(N1)C)C(=C(C=C2)C3=C4C=CC=C(C4=C(C=C3CO)OC)OC)O |
SMILES (Isomeric) | C[C@H]1CC2=C([C@@H](N1)C)C(=C(C=C2)C3=C4C=CC=C(C4=C(C=C3CO)OC)OC)O |
InChI | InChI=1S/C24H27NO4/c1-13-10-15-8-9-18(24(27)21(15)14(2)25-13)22-16(12-26)11-20(29-4)23-17(22)6-5-7-19(23)28-3/h5-9,11,13-14,25-27H,10,12H2,1-4H3/t13-,14-/m0/s1 |
InChI Key | UORJGZQGXAWGDM-KBPBESRZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H27NO4 |
Molecular Weight | 393.50 g/mol |
Exact Mass | 393.19400834 g/mol |
Topological Polar Surface Area (TPSA) | 71.00 Ų |
XlogP | 3.70 |
There are no found synonyms. |
![2D Structure of (1S,3S)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol 2D Structure of (1S,3S)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol](https://plantaedb.com/storage/docs/compounds/2023/11/643c84e0-8627-11ee-9de3-85edfd5b68ae.jpg)
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 | 99.65% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.10% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 97.71% | 98.95% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.37% | 93.99% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.02% | 91.79% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.21% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.71% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.98% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 91.92% | 98.75% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.66% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.37% | 96.21% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.26% | 94.03% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.85% | 99.17% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.07% | 89.62% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.01% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.93% | 89.00% |
CHEMBL1907 | P15144 | Aminopeptidase N | 86.27% | 93.31% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.70% | 94.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.50% | 92.94% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.41% | 91.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.19% | 90.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.84% | 92.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.31% | 94.45% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.91% | 95.56% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.45% | 96.95% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.38% | 90.24% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 80.09% | 90.20% |
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.
Triphyophyllum peltatum |
PubChem | 163094318 |
LOTUS | LTS0186481 |
wikiData | Q105276534 |