CHEBI:69808 - 14-Deoxy-11,12-didehydroandrographolide

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ChEBI Name 14-Deoxy-11,12-didehydroandrographolide
ChEBI ID CHEBI:69808
Definition A natural product found in Andrographis paniculata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28O4
Net Charge 0
Average Mass 332.43390
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1
InChIKey XMJAJFVLHDIEHF-CRBRZBHVSA-N
SMILES [H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
Metabolite of Species Details
Andrographis paniculata (NCBI:txid175694) Found in leaf (BTO:0000713). 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 14-Deoxy-11,12-didehydroandrographolide (CHEBI:69808) has role metabolite (CHEBI:25212)
14-Deoxy-11,12-didehydroandrographolide (CHEBI:69808) is a diterpene lactone (CHEBI:49193)
Synonym Source
3-{(E)-2-[(1R,4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone ChEBI
Citation Waiting for Citations Type Source
21598983 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);