CHEBI:67394 - S-3'-hydroxy-4,4'-dimethoxydalbergione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-3'-hydroxy-4,4'-dimethoxydalbergione
ChEBI ID CHEBI:67394
Definition A natural product found in Pterocarpus santalinus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H16O5
Net Charge 0
Average Mass 300.30590
Monoisotopic Mass 300.09977
InChI InChI=1S/C17H16O5/c1-4-11(10-5-6-16(21-2)14(19)7-10)12-8-15(20)17(22-3)9-13(12)18/h4-9,11,19H,1H2,2-3H3/t11-/m0/s1
InChIKey BJJFYNLYABNPSS-NSHDSACASA-N
SMILES COC1=CC(=O)C(=CC1=O)[C@@H](C=C)c1ccc(OC)c(O)c1
Metabolite of Species Details
Pterocarpus santalinus (NCBI:txid1071199) Found in heartwood (PO:0004512). Dichloromethane soluble portion of MeOH extract of powdered heartwood. See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing S-3'-hydroxy-4,4'-dimethoxydalbergione (CHEBI:67394) has role metabolite (CHEBI:25212)
S-3'-hydroxy-4,4'-dimethoxydalbergione (CHEBI:67394) is a 1,4-benzoquinones (CHEBI:132124)
S-3'-hydroxy-4,4'-dimethoxydalbergione (CHEBI:67394) is a neoflavonoid (CHEBI:71971)
Synonym Source
2-[(1S)-1-(3-Hydroxy-4-methoxyphenyl)-2-propen-1-yl]-5-methoxy-1,4-benzoquinone ChEBI
Citation Waiting for Citations Type Source
21488654 PubMed citation Europe PMC
Last Modified
03 June 2016
General Comment
2014-10-17 Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:olefinic compound(CHEBI:78840); ISA:p-quinone(CHEBI:25830); ISA:benzoquinones(CHEBI:22729); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:organic heterocyclic compound(CHEBI:24532); ISA:aromatic alcohol(CHEBI:33854);