CHEBI:181572 - Peniprequinolone

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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 Peniprequinolone
ChEBI ID CHEBI:181572
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H25NO5
Net Charge 0
Average Mass 383.444
Monoisotopic Mass 383.17327
InChI InChI=1S/C22H25NO5/c1-13(2)5-6-14-7-12-17-18(19(14)24)22(26,20(28-4)21(25)23-17)15-8-10-16(27-3)11-9-15/h5,7-12,20,24,26H,6H2,1-4H3,(H,23,25)/t20-,22+/m0/s1
InChIKey ZRZQXSGEIJXJEO-RBBKRZOGSA-N
SMILES O[C@]1([C@@H](OC)C(=O)NC2=C1C(O)=C(C=C2)CC=C(C)C)C3=CC=C(OC)C=C3
ChEBI Ontology
Outgoing Peniprequinolone (CHEBI:181572) is a quinolines (CHEBI:26513)
IUPAC Name
(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-1,3-dihydroquinolin-2-one
Synonym Source
peniprequinolone UniProt
Manual Xref Database
17614398 ChemSpider
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Last Modified
01 September 2022