CHEBI:66010 - 9-hydroxy hedychenone

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ChEBI Name 9-hydroxy hedychenone
ChEBI ID CHEBI:66010
Definition A labdane diterpenoid that is 15,16-epoxy-7,11,13(16)14-labdatetraen-6-one substituted by a hydroxy group at position 9. Isolated from the rhizomes of Hedychium spicatum, it exhibits cytotoxicity against the Colo-205 (Colo-cancer), A-431 (skin cancer), MCF-7 (breast cancer), A-549 (lung cancer) and Chinese hamster ovary cells (CHO).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H26O3
Net Charge 0
Average Mass 314.41860
Monoisotopic Mass 314.18819
InChI InChI=1S/C20H26O3/c1-14-12-16(21)17-18(2,3)8-5-9-19(17,4)20(14,22)10-6-15-7-11-23-13-15/h6-7,10-13,17,22H,5,8-9H2,1-4H3/b10-6+/t17-,19-,20+/m0/s1
InChIKey USWFVTHYLJICBA-DYBKDBSWSA-N
SMILES [H][C@@]12C(=O)C=C(C)[C@](O)(\C=C\c3ccoc3)[C@@]1(C)CCCC2(C)C
Metabolite of Species Details
Hedychium sp.catum (NCBI:txid110723) Found in rhizome (BTO:0001181). 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9-hydroxy hedychenone (CHEBI:66010) has role antineoplastic agent (CHEBI:35610)
9-hydroxy hedychenone (CHEBI:66010) has role metabolite (CHEBI:25212)
9-hydroxy hedychenone (CHEBI:66010) is a enone (CHEBI:51689)
9-hydroxy hedychenone (CHEBI:66010) is a furans (CHEBI:24129)
9-hydroxy hedychenone (CHEBI:66010) is a hexahydronaphthalenes (CHEBI:142348)
9-hydroxy hedychenone (CHEBI:66010) is a labdane diterpenoid (CHEBI:36770)
9-hydroxy hedychenone (CHEBI:66010) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(4R,4aS,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-4-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one
Synonym Source
9-hydroxy-15,16-epoxy-7,11,13(16)14-labdatetraen-6-one ChEBI
Registry Number Type Source
19010942 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19027298 PubMed citation Europe PMC
Last Modified
23 September 2018