CHEBI:65554 - Calanolide E2 (diastereoisomer of calanolide E1)

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ChEBI Name Calanolide E2 (diastereoisomer of calanolide E1)
ChEBI ID CHEBI:65554
Definition A natural product found in Calophyllum teysmannii var inophylloide and Calophyllum lanigerum var austrocoriaceum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H28O6
Net Charge 0
Average Mass 388.45410
Monoisotopic Mass 388.18859
InChI InChI=1S/C22H28O6/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19(26)17(21)18(25)11(2)12(3)23/h8-9,11-13,23,26H,6-7,10H2,1-5H3
InChIKey QVXVUACNNIWBIU-UHFFFAOYSA-N
SMILES CCCC1CC(=O)Oc2c1c1OC(C)(C)C=Cc1c(O)c2C(=O)C(C)C(C)O
Metabolite of Species Details
Calophyllum lanigerum var. austrocoriaceum (IPNI:876292-1) Found in stem (BTO:0001300). Previous component: stem bark; See: PubMed
Calophyllum teysmannii var. inophylloide (IPNI:876299-1) Found in stem (BTO:0001300). Previous component: stem bark; 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.
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ChEBI Ontology
Outgoing Calanolide E2 (diastereoisomer of calanolide E1) (CHEBI:65554) has role metabolite (CHEBI:25212)
Calanolide E2 (diastereoisomer of calanolide E1) (CHEBI:65554) is a coumarins (CHEBI:23403)
Synonyms Sources
2,2-Dimethyl-5-hydroxy-6-(1-oxo-2-methyl-3-hydroxybutyl)-10-propyl-benzo[1,2-b'4,3-b']dipyran-8-one ChEBI
2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one, 9,10-dihydro-5-hydroxy-6-(3-hydroxy-2-methyl-1-oxobutyl)-2,2-dimethyl-10-propyl- ChEBI
5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-8-one ChEBI
5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-one ChEBI
Citation Waiting for Citations Type Source
8792623 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:chromenes(CHEBI:23232); ISA:1-benzopyran(CHEBI:38443); ISA:hydroxycoumarin(CHEBI:37912); ISA:butanone(CHEBI:22951); ISA:acetophenones(CHEBI:22187); ISA:aromatic ketone(CHEBI:76224); ISA:carbonyl compound(CHEBI:36586); ISA:phenols(CHEBI:33853); ISA:aromatic ether(CHEBI:35618); ISA:beta-hydroxy ketone(CHEBI:55380); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);