CHEBI:69200 - Isopropylidene derivative of sappanol

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ChEBI Name Isopropylidene derivative of sappanol
ChEBI ID CHEBI:69200
Definition A natural product found in Caesalpinia sappan.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H20O6
Net Charge 0
Average Mass 344.35850
Monoisotopic Mass 344.12599
InChI InChI=1S/C19H20O6/c1-18(2)24-17-13-5-4-12(20)8-16(13)23-10-19(17,25-18)9-11-3-6-14(21)15(22)7-11/h3-8,17,20-22H,9-10H2,1-2H3/t17-,19+/m0/s1
InChIKey RLPKXRROWWXWLU-PKOBYXMFSA-N
SMILES [H][C@@]12OC(C)(C)O[C@@]1(COc1cc(O)ccc21)Cc1ccc(O)c(O)c1
Metabolite of Species Details
Caesalpinia sappan (NCBI:txid483143) Found in heartwood (PO:0004512). Methanolic extract of dried heart wood of C.sappan(Caesalpinia001) 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 Isopropylidene derivative of sappanol (CHEBI:69200) has role metabolite (CHEBI:25212)
Isopropylidene derivative of sappanol (CHEBI:69200) is a 1-benzopyran (CHEBI:38443)
Synonym Source
4-[[(3aR,9bS)-7-hydroxy-2,2-dimethyl-4,9b-dihydro-[1,3]dioxolo[4,5-c]chromen-3a-yl]methyl]benzene-1,2-diol ChEBI
Citation Waiting for Citations Type Source
21800859 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:catechols(CHEBI:33566); ISA:aromatic ether(CHEBI:35618); ISA:dioxolane(CHEBI:39430); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854);