CHEBI:28853 - isopimpinellin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isopimpinellin
ChEBI ID CHEBI:28853
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6040, CHEBI:23815
Supplier Information
Download Molfile XML SDF
Formula C13H10O5
Net Charge 0
Average Mass 246.21550
Monoisotopic Mass 246.053
InChI InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
InChIKey DFMAXQKDIGCMTL-UHFFFAOYSA-N
SMILES COc1c2ccoc2c(OC)c2oc(=O)ccc12
ChEBI Ontology
Outgoing isopimpinellin (CHEBI:28853) is a psoralens (CHEBI:26369)
IUPAC Name
4,9-dimethoxy-7H-furo[3,2-g]chromen-7-one
Synonyms Sources
5,8-Dimethoxypsoralen ChemIDplus
5,8-Dimethoxypsoralen KEGG COMPOUND
5,8-Dimethoxypsoralene ChemIDplus
Isopimpinellin KEGG COMPOUND
isopimpinellin UniProt
Manual Xrefs Databases
C00000583 KNApSAcK
LSM-25618 LINCS
View more database links
Registry Numbers Types Sources
262337 Beilstein Registry Number Beilstein
482-27-9 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016