CHEBI:185630 - 4-Hydroxyderricin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-Hydroxyderricin
ChEBI ID CHEBI:185630
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O4
Net Charge 0
Average Mass 338.403
Monoisotopic Mass 338.15181
InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
InChIKey XDKYBPGIBVMHHB-KPKJPENVSA-N
SMILES O(C1=C(CC=C(C)C)C(O)=C(C=C1)C(=O)/C=C/C2=CC=C(O)C=C2)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Hydroxyderricin (CHEBI:185630) is a chalcones (CHEBI:23086)
IUPAC Name
(E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Manual Xrefs Databases
4942973 ChemSpider
LMPK12120041 LIPID MAPS
View more database links
Registry Number Type Source
55912-03-3 CAS Registry Number ChemIDplus