EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31034 - (S)-DNPA

Default Structure
ChEBI IDCHEBI:31034
ChEBI Name(S)-DNPA
Stars
ASCII Name(S)-DNPA
DefinitionA member of the class of naphthopyrans that is 4,10-dihydro-3H-naphtho[2,3-c]pyran-3-yl]acetic acid bearing additional methyl, hydroxy and oxo substituents at positions 1, 9 and 10 respectively.
Last Modified16 June 2015
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESCC1=C2C(=O)c3c(O)cccc3C=C2C[C@@H](CC(=O)O)O1
InChIInChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyHHXSOTFPYPQSBU-NSHDSACASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-DNPA (CHEBI:31034) is a aromatic ketone (CHEBI:76224)
(S)-DNPA (CHEBI:31034) is a cyclic ketone (CHEBI:3992)
(S)-DNPA (CHEBI:31034) is a monocarboxylic acid (CHEBI:25384)
(S)-DNPA (CHEBI:31034) is a naphthopyran (CHEBI:86027)
(S)-DNPA (CHEBI:31034) is a phenols (CHEBI:33853)
(S)-DNPA (CHEBI:31034) is a polyketide (CHEBI:26188)
IUPAC Name 
[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-naphtho[2,3-c]pyran-3-yl]acetic acid
Synonym  Source
4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho[2,3-c]pyran-3-acetic acidKEGG COMPOUND
Manual XrefsDatabases
C12434KEGG COMPOUND
CPD1A0-6111MetaCyc
SDNPDBeChem
Registry NumbersSources
Reaxys:8278101Reaxys