3beta-hydroxyatractylon (CHEBI:144385)

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ChEBI Name	3β-hydroxyatractylon

ChEBI ID	CHEBI:144385

ChEBI ASCII Name	3beta-hydroxyatractylon

Definition	An organic heterotricyclic compound that is (4aR,8aR)-8a-methyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan substituted by a methyl group, methylidene group and a hydroxy group at positions 3, 5 and 6S, respectively. It is a sesquiterpenoid isolated from the plant, Atractylodes lancea.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O2

Net Charge

Average Mass

232.323

Monoisotopic Mass

232.14633

InChI

InChI=1S/C15H20O2/c1-9-8-17-14-7-15(3)5-4-13(16)10(2)12(15)6-11(9)14/h8,12-13,16H,2,4-7H2,1,3H3/t12-,13-,15+/m0/s1

InChIKey

HNLZDVOBUHDCLO-KCQAQPDRSA-N

SMILES

O1C2=C(C[C@]3(C(=C)[C@@H](O)CC[C@@]3(C2)C)[H])C(=C1)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in liver (BTO:0000759). of strain BALB/c [EFO:0000602] See: MetaboLights Study
Atractylodes lancea (NCBI:txid41486)	Found in rhizome (BTO:0001181). See: PubMed

Roles Classification
Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	3β-hydroxyatractylon (CHEBI:144385) has role mouse metabolite (CHEBI:75771) 3β-hydroxyatractylon (CHEBI:144385) has role plant metabolite (CHEBI:76924) 3β-hydroxyatractylon (CHEBI:144385) is a organic heterotricyclic compound (CHEBI:26979) 3β-hydroxyatractylon (CHEBI:144385) is a organic hydroxy compound (CHEBI:33822) 3β-hydroxyatractylon (CHEBI:144385) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

(4aR,6S,8aR)-3,8a-dimethyl-5-methylidene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-6-ol

Synonym	Source
(4aR,6S,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-ol	ChEBI

Citation	Type	Source
988162	PubMed citation	Europe PMC

Last Modified

07 August 2019