2-[2-(Hydroxymethyl)-3-methoxyphenyl]-7-methyl-1-(3-methylphenyl)benzo[cd]indol-3-one
| Internal ID | 89763797-4acb-4cf9-99b2-d558c607c5ee |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 2-phenylindoles |
| IUPAC Name | 2-[2-(hydroxymethyl)-3-methoxyphenyl]-7-methyl-1-(3-methylphenyl)benzo[cd]indol-3-one |
| SMILES (Canonical) | CC1=CC(=CC=C1)N2C3=CC(=CC4=C3C(=C2C5=C(C(=CC=C5)OC)CO)C(=O)C=C4)C |
| SMILES (Isomeric) | CC1=CC(=CC=C1)N2C3=CC(=CC4=C3C(=C2C5=C(C(=CC=C5)OC)CO)C(=O)C=C4)C |
| InChI | InChI=1S/C27H23NO3/c1-16-6-4-7-19(13-16)28-22-14-17(2)12-18-10-11-23(30)26(25(18)22)27(28)20-8-5-9-24(31-3)21(20)15-29/h4-14,29H,15H2,1-3H3 |
| InChI Key | KZTINOJOKALWSZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H23NO3 |
| Molecular Weight | 409.50 g/mol |
| Exact Mass | 409.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 51.50 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 2-[2-(Hydroxymethyl)-3-methoxyphenyl]-7-methyl-1-(3-methylphenyl)benzo[cd]indol-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-hydroxymethyl-3-methoxyphenyl-7-methyl-1-3-methylphenylbenzocdindol-3-one.jpg "2D Structure of 2-[2-(Hydroxymethyl)-3-methoxyphenyl]-7-methyl-1-(3-methylphenyl)benzo[cd]indol-3-one")
| 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 | 98.38% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.01% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.06% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.31% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.81% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.82% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.70% | 96.95% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.28% | 96.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.61% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.09% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.41% | 98.75% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 87.94% | 96.47% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.57% | 89.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.17% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.22% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.19% | 93.31% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.04% | 82.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.41% | 99.17% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 81.77% | 94.05% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.76% | 92.38% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.32% | 91.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.17% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.10% | 93.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163144439 |
| LOTUS | LTS0156015 |
| wikiData | Q105148431 |