11,20-dihydroxysugiol (CHEBI:138963)

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CHEBI:138963 - 11,20-dihydroxysugiol

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ChEBI ID	CHEBI:138963
ChEBI Name	11,20-dihydroxysugiol
Stars
Definition	An abietane diterpenoid that is 11-hydroxysugiol in which one of the hydrogens of the methyl group attached to a ring junction has been replaced by a hydroxy group.
Last Modified	9 January 2018
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C20H28O4
Net Charge	0
Average Mass	332.440
Monoisotopic Mass	332.19876
SMILES	[H][C@@]12CC(=O)c3cc(C(C)C)c(O)c(O)c3[C@@]1(CO)CCCC2(C)C
InChI	InChI=1S/C20H28O4/c1-11(2)12-8-13-14(22)9-15-19(3,4)6-5-7-20(15,10-21)16(13)18(24)17(12)23/h8,11,15,21,23-24H,5-7,9-10H2,1-4H3/t15-,20+/m0/s1
InChIKey	PUXJVXOVZKVJTD-MGPUTAFESA-N

Species of Metabolite	Component	Source	Comments
Plectranthus cyaneus (IPNI:454339-1)	aerial part (BTO:0001658)	DOI (10.1002/hlca.200490210)

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	11,20-dihydroxysugiol (CHEBI:138963) has functional parent 11-hydroxysugiol (CHEBI:138962)
	11,20-dihydroxysugiol (CHEBI:138963) has functional parent 11,20-dihydroxyferruginol (CHEBI:138965)
	11,20-dihydroxysugiol (CHEBI:138963) has functional parent ferruginol (CHEBI:78274)
	11,20-dihydroxysugiol (CHEBI:138963) has role antioxidant (CHEBI:22586)
	11,20-dihydroxysugiol (CHEBI:138963) has role plant metabolite (CHEBI:76924)
	11,20-dihydroxysugiol (CHEBI:138963) is a abietane diterpenoid (CHEBI:36762)
	11,20-dihydroxysugiol (CHEBI:138963) is a carbotricyclic compound (CHEBI:38032)
	11,20-dihydroxysugiol (CHEBI:138963) is a catechols (CHEBI:33566)
	11,20-dihydroxysugiol (CHEBI:138963) is a cyclic terpene ketone (CHEBI:36130)
	11,20-dihydroxysugiol (CHEBI:138963) is a meroterpenoid (CHEBI:64419)
	11,20-dihydroxysugiol (CHEBI:138963) is a primary alcohol (CHEBI:15734)

IUPAC Name
11,12,20-trihydroxyabieta-8,11,13-trien-7-one

Synonym	Source
(4aR,10aS)-2,3,4,4a,10,10a-hexahydro-5,6-dihydroxy-4a-(hydroxymethyl)-1,1-dimethyl-7-(1-methylethyl)phenanthren-9(1H)-one	ChEBI

UniProt Name	Source
11,20-dihydroxysugiol	UniProt

Manual Xrefs	Databases
CPD-20270	MetaCyc

Registry Numbers	Sources
Reaxys:9805938	Reaxys

Citations