OntologieschebiclassesCHEBI:66072   
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indicanone
http://purl.obolibrary.org/obo/CHEBI_66072

A guaiane sesquiterpenoid that is 4,5,6,7-tetrahydroazulen-2(1H)-one substituted by a hydroxymethyl group at position 8, a methyl group at position 3 and an isopropenyl group at position 5. Isolated from the roots of Wikstroemia indica, it exhibits antiinflammatory activity.

Also appears inslm
Exact Synonyms
(5R)-8-(hydroxymethyl)-3-methyl-5-(prop-1-en-2-yl)-4,5,6,7-tetrahydroazulen-2(1H)-one
Related Synonyms
(+)-indicanone
class Information
charge

0

formula

C15H20O2

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C15H20O2/c1-9(2)11-4-5-12(8-16)14-7-15(17)10(3)13(14)6-11/h11,16H,1,4-8H2,2-3H3/t11-/m1/s1

inchikey

BIWBNAFBKLFTGT-LLVKDONJSA-N

in_subset

3_STAR

mass

232.31810

monoisotopicmass

232.14633

smiles

CC(=C)[C@@H]1CCC(CO)=C2CC(=O)C(C)=C2C1

class Relations