CHEBI:168939 - 4'-hydroxypropanolol

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'-hydroxypropanolol
ChEBI ID CHEBI:168939
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H21NO3
Net Charge 0
Average Mass 275.348
Monoisotopic Mass 275.15214
InChI InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3
InChIKey CWEPACWBWIOYID-UHFFFAOYSA-N
SMILES O(CC(O)CNC(C)C)C=1C=2C(C(O)=CC1)=CC=CC2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 4'-hydroxypropanolol (CHEBI:168939) is a naphthols (CHEBI:25392)
IUPAC Name
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
Manual Xrefs Databases
82678 ChemSpider
HMDB0060989 HMDB
View more database links
Registry Number Type Source
10476-53-6 CAS Registry Number ChemIDplus