alismorientol A (CHEBI:65386)

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ChEBI Name	alismorientol A

ChEBI ID	CHEBI:65386

Definition	A guaiane sesquiterpenoid that is 1,5-cis-guaiane substituted by hydroxy groups at positions 4, 6, 7 and 10. It is isolated from the rhizomes of Alisma orientale and exhibits antihepatitis B activity.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H28O4

Net Charge

Average Mass

272.38040

Monoisotopic Mass

272.19876

InChI

InChI=1S/C15H28O4/c1-9(2)15(19)8-7-13(3,17)10-5-6-14(4,18)11(10)12(15)16/h9-12,16-19H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15-/m1/s1

InChIKey

MAZFBCJNIUKTID-MNQBEEPXSA-N

SMILES

[H][C@@]12CC[C@@](C)(O)[C@]1([H])[C@H](O)[C@@](O)(CC[C@]2(C)O)C(C)C

Metabolite of Species	Details
Alisma orientale (NCBI:txid262913)	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. anti-HBV agent An antiviral agent that destroys or inhibits the replication of the hepatitis B virus.

ChEBI Ontology
Outgoing	alismorientol A (CHEBI:65386) has role anti-HBV agent (CHEBI:64951) alismorientol A (CHEBI:65386) has role metabolite (CHEBI:25212) alismorientol A (CHEBI:65386) is a carbobicyclic compound (CHEBI:36785) alismorientol A (CHEBI:65386) is a guaiane sesquiterpenoid (CHEBI:36744) alismorientol A (CHEBI:65386) is a secondary alcohol (CHEBI:35681) alismorientol A (CHEBI:65386) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(1R,3aR,4S,7R,8S,8aS)-1,4-dimethyl-7-(propan-2-yl)decahydroazulene-1,4,7,8-tetrol

Synonym	Source
4α,6β,7α,10β-tetrahydroxy-1,5-cis-guaiane	ChEBI

Registry Number	Type	Source
11226985	Reaxys Registry Number	Reaxys

Last Modified

01 November 2012