CHEBI:31034 - (S)-DNPA

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ChEBI Name (S)-DNPA
ChEBI ID CHEBI:31034
ChEBI ASCII Name (S)-DNPA
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H14O5
Net Charge 0
Average Mass 286.27940
Monoisotopic Mass 286.08412
InChI InChI=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
InChIKey HHXSOTFPYPQSBU-NSHDSACASA-N
SMILES CC1=C2C(C[C@@H](CC(O)=O)O1)=Cc1cccc(O)c1C2=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (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 acid KEGG COMPOUND
Manual Xrefs Databases
C12434 KEGG COMPOUND
CPD1A0-6111 MetaCyc
SDN PDBeChem
View more database links
Registry Number Type Source
8278101 Reaxys Registry Number Reaxys
Last Modified
16 June 2015