Dataset
Colchicine
Chemical Info
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)/t16-/m0/s1 |
---|---|
SMILES | COC(=C3)C(=O)C=C(C(NC(C)=O)2)C(=C3)c(c(CC2)1)c(OC)c(OC)c(OC)c1 |
InChI Key | IAKHMKGGTNLKSZ-INIZCTEOSA-N |
Molecular Formula | C22H25NO6 |
Exact Mass | 399.168 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00428 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:35:45.253369 |
MetadataModified | 2024-01-11T16:35:45.448598 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
2367 | Guide to Pharmacology |
LOC | PDBe |
12012587 | PubChem: Drugs of the Future |
DB01394 | DrugBank |
C07592 | KEGG Ligand |
CHEMBL107 | ChEMBL |
27882 | ChEBI |
COLCHICINE | DailyMed |
50014846 | BindingDB |
229303 | Brenda |
GLOPERBA | rxnorm |
MITIGARE | rxnorm |
COLCRYS | rxnorm |
COLCHICINE | rxnorm |
COLCHICINE | clinicaltrials |
COLCRYS | clinicaltrials |
HY-16569 | MedChemExpress |
MCULE-7858118731 | Mcule |
DTXSID5024845 | EPA CompTox Dashboard |
60000009 | NMRShiftDB |
726 | DrugCentral |
ZINC000000621853 | ZINC |
J9.267C | Nikkaji |
COLCDH | CCDC |
229302 | Brenda |
colchicine | Atlas |
14756995 | PubChem: Thomson Pharma |
30512-31-3 | ACToR |
SCHEMBL8469 | SureChEMBL |
LSM-5199 | LINCS |
SML2Y3J35T | FDA SRS |
PD002408 | ProbesDrugs |
3334 | Brenda |
8394 | Brenda |
CB6391144 | ChemicalBook |
48923 | Brenda |
colchicine | DailyMed |
PA449092 | PharmGKB |
MTBLC27882 | Metabolights |
6167 | PubChem |
MCULE-1568647156 | Mcule |
GLOPERBA | clinicaltrials |
493998 | eMolecules |
The data in this table is sourced from UniChem at EBI. |