Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:58:56 UTC
Update Date2022-08-31 06:44:33 UTC
Metabolite IDMMDBc0018824
Metabolite Identification
Common NameArohynapene A
DescriptionArohynapene A belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Based on a literature review very few articles have been published on Arohynapene A.
Structure
Synonyms
ValueSource
5-(5-Hydroxy-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalene)-2,4-pentadienoic acidMeSH
Molecular FormulaC18H22O3
Average Mass286.371
Monoisotopic Mass286.156894568
IUPAC Name(2E,4E)-5-(5-hydroxy-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)penta-2,4-dienoic acid
Traditional Name(2E,4E)-5-(5-hydroxy-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)penta-2,4-dienoic acid
CAS Registry NumberNot Available
SMILES
[H]\C(\C(\[H])=C(/[H])C1=C(C)C=CC2=C1C(C)CC(C)C2O)=C(\[H])C(O)=O
InChI Identifier
InChI=1S/C18H22O3/c1-11-8-9-15-17(12(2)10-13(3)18(15)21)14(11)6-4-5-7-16(19)20/h4-9,12-13,18,21H,10H2,1-3H3,(H,19,20)/b6-4+,7-5+
InChI KeyLPDVNGOVYMGORG-YDFGWWAZSA-N