N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Internal ID | 247025d6-ee81-4447-b79a-f5b7ebaf32cc |
Taxonomy | Hydrocarbon derivatives > Tropones |
IUPAC Name | N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide |
SMILES (Canonical) | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
SMILES (Isomeric) | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
InChI | InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24) |
InChI Key | IAKHMKGGTNLKSZ-UHFFFAOYSA-N |
Popularity | 81 references in papers |
Molecular Formula | C22H25NO6 |
Molecular Weight | 399.40 g/mol |
Exact Mass | 399.16818752 g/mol |
Topological Polar Surface Area (TPSA) | 83.10 Ų |
XlogP | 1.00 |
Colchine |
209810-38-8 |
(+/-)-Colchicine |
54192-66-4 |
N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide |
(+-)-COLCHICINE |
CHEBI:23359 |
N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide |
Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]- |
(S)-Colchicine >95% |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide 2D Structure of N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide](https://plantaedb.com/storage/docs/compounds/2023/07/n-12310-tetramethoxy-9-oxo-5679-tetrahydrobenzoaheptalen-7-ylacetamide.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL1293278 | O75496 | Geminin |
39.8 nM |
Potency |
via Super-PRED
|
CHEMBL1293299 | Q03164 | Histone-lysine N-methyltransferase MLL |
3162.3 nM |
Potency |
via CMAUP
|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha |
199.5 nM |
Potency |
via Super-PRED
|
CHEMBL1741165 | O75030 | Microphthalmia-associated transcription factor |
56 nM 56 nM 56 nM |
AC50 AC50 AC50 |
via CMAUP
via CMAUP via CMAUP |
CHEMBL2362980 | Q06710 | Paired box protein Pax-8 |
<
260 nM |
AC50 |
via CMAUP
|
CHEMBL1293235 | P02545 | Prelamin-A/C |
79.4 nM 8.9 nM |
Potency Potency |
via Super-PRED
via Super-PRED |
CHEMBL1293256 | P40225 | Thrombopoietin |
501.2 nM |
Potency |
via Super-PRED
|
CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
125.9 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.17% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.67% | 98.95% |
CHEMBL2535 | P11166 | Glucose transporter | 91.74% | 98.75% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.37% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.91% | 99.17% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 88.81% | 95.62% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 87.98% | 91.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.91% | 93.03% |
CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 87.34% | 96.33% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.97% | 95.89% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.16% | 96.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.47% | 91.19% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.09% | 96.38% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.63% | 89.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.50% | 90.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.75% | 92.62% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.48% | 92.94% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.35% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.01% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.84% | 95.56% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.67% | 91.49% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.39% | 97.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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