1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Internal ID | e28397d7-78cf-4cc3-9237-e27b3e7302f6 |
Taxonomy | Hydrocarbon derivatives > Tropones |
IUPAC Name | 1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one |
SMILES (Canonical) | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
SMILES (Isomeric) | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
InChI | InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3 |
InChI Key | NNJPGOLRFBJNIW-UHFFFAOYSA-N |
Popularity | 4,889 references in papers |
Molecular Formula | C21H25NO5 |
Molecular Weight | 371.40 g/mol |
Exact Mass | 371.17327290 g/mol |
Topological Polar Surface Area (TPSA) | 66.00 Ų |
XlogP | 1.40 |
102491-77-0 |
Demicolcine |
1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one |
NSC3096 |
6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(alpha)heptalen-9(5H)-one |
Colcemid;Colchamin;Desmecolcine;Kolchamin |
NCGC00166035-01 |
MolMap_000011 |
SCHEMBL8160 |
CHEMBL433632 |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one 2D Structure of 1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/12310-tetramethoxy-7-methylamino-67-dihydro-5h-benzoaheptalen-9-one.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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 92.11% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.70% | 96.09% |
CHEMBL2535 | P11166 | Glucose transporter | 91.40% | 98.75% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.02% | 91.11% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.69% | 90.71% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.02% | 93.03% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.49% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.44% | 95.89% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.17% | 96.38% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.56% | 83.82% |
CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.17% | 96.86% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.76% | 96.09% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.64% | 92.98% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.42% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 83.77% | 91.49% |
CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 83.68% | 82.50% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.47% | 91.00% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.37% | 91.79% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 83.24% | 95.62% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.24% | 92.38% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.23% | 97.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.94% | 99.17% |
CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.32% | 96.33% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.99% | 95.89% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.49% | 96.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.79% | 92.62% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.70% | 96.21% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.58% | 96.67% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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PubChem | 2832 |
LOTUS | LTS0216871 |
wikiData | Q16959658 |