Dataset
Capsaicin
Chemical Info
InChI | InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ |
---|---|
SMILES | CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
InChI Key | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
Molecular Formula | C18H27NO3 |
Exact Mass | 305.199 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80892 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:41.122837 |
MetadataModified | 2024-01-11T22:28:41.282406 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
ZINC000001530575 | ZINC |
3064 | DrugCentral |
4DY | PDBe |
DTXSID9020241 | EPA CompTox Dashboard |
MCULE-8056866140 | Mcule |
20248832 | NMRShiftDB |
LSM-43180 | LINCS |
DB06774 | DrugBank |
HY-10448A | MedChemExpress |
HY-10448 | MedChemExpress |
NGX-4010 | clinicaltrials |
CAPSAICIN | clinicaltrials |
NGX-1998 | clinicaltrials |
ALGRX 4975 | clinicaltrials |
QUTENZA | clinicaltrials |
ALGRX-4975 | clinicaltrials |
ZOSTRIX | rxnorm |
CAPSAICIN | rxnorm |
20461 | BindingDB |
3374 | Rhea |
CAPSAICIN | DailyMed |
QUTENZA | rxnorm |
CAPZASIN-HP | rxnorm |
CB32551563 | ChemicalBook |
capsaicin | DailyMed |
CB6112967 | ChemicalBook |
HMDB0002227 | Human Metabolome Database |
62314 | Brenda |
133152 | Brenda |
LMFA08020085 | LipidMaps |
MTBLC3374 | Metabolights |
1947 | Brenda |
J29.362H | Nikkaji |
J1.529F | Nikkaji |
SCHEMBL8085 | SureChEMBL |
1548943 | PubChem |
FABVAF | CCDC |
14923155 | PubChem: Thomson Pharma |
PD001884 | ProbesDrugs |
404-86-4 | ACToR |
S07O44R1ZM | FDA SRS |
CHEMBL294199 | ChEMBL |
2486 | Guide to Pharmacology |
3374 | ChEBI |
C06866 | KEGG Ligand |
12015395 | PubChem: Drugs of the Future |
479469 | eMolecules |
The data in this table is sourced from UniChem at EBI. |