Colchifoline

Details

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Internal ID 22d3ba04-da50-40b3-9f5b-f0882f2a98d3
Taxonomy Hydrocarbon derivatives > Tropones
IUPAC Name 2-hydroxy-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
SMILES (Canonical) COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CO
SMILES (Isomeric) COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CO
InChI InChI=1S/C22H25NO7/c1-27-17-8-6-13-14(10-16(17)25)15(23-19(26)11-24)7-5-12-9-18(28-2)21(29-3)22(30-4)20(12)13/h6,8-10,15,24H,5,7,11H2,1-4H3,(H,23,26)
InChI Key DIELAJDYLJKYSH-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C22H25NO7
Molecular Weight 415.40 g/mol
Exact Mass 415.16310214 g/mol
Topological Polar Surface Area (TPSA) 103.00 Ų
XlogP 0.40

Synonyms

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74515-40-5
2-hydroxy-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
NSC 335987
BRN 4213453
NSC335987
NSC-335987
Acetamide, 2-hydroxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-

2D Structure

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2D Structure of Colchifoline

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.38% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.57% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.30% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.09% 99.17%
CHEMBL2535 P11166 Glucose transporter 91.89% 98.75%
CHEMBL1075317 P61964 WD repeat-containing protein 5 91.66% 96.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 91.23% 90.71%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 89.54% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.25% 85.14%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 86.63% 95.89%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.72% 93.03%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.12% 92.62%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 84.91% 92.38%
CHEMBL217 P14416 Dopamine D2 receptor 83.47% 95.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.99% 95.89%
CHEMBL261 P00915 Carbonic anhydrase I 82.34% 96.76%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 81.96% 96.38%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.62% 95.56%
CHEMBL340 P08684 Cytochrome P450 3A4 81.60% 91.19%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.01% 89.00%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.55% 89.50%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.33% 97.09%
CHEMBL4208 P20618 Proteasome component C5 80.14% 90.00%

Plants that contains it

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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.
Colchicum ritchiei
Colchicum turcicum

Cross-Links

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PubChem 100132
LOTUS LTS0062655
wikiData Q104393992