WHC is still in active development. Read this to understand our approach.
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isomerdesign

β-Asarone

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isomerdesign

α-Asarone

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pubchem

alpha-Asarone

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Data

InChI: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3

Synonyms: Asarum camphor,1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene,s4772,HMS3885L22,1,2,4-trimethoxy-5-propenyl-benzene,ASARONE [WHO-DD],BBL028099,(E)-2,4,5-Trimethoxypropenylbenzene,NSC-107257,TRANS-ASARONE,SCHEMBL528746,CS-5520,BDBM50240783,Isoasaron,1,2,4-Trimethoxy-5-(1-propenyl)benzene,Alpha-Asarone ,(S),STL146379,CHEMBL333306,Benzene, 1,2,4-trimethoxy-5-(1E)-1-propenyl-,1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene,2,5-Trimethoxy-1-propenylbenzene,trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene trans-1-Propenyl-2,4,5-trimethoxybenzene,Isoasaron (6CI),BCP15389,Asarone,AKOS001590148,DTXSID00871878,Asarabacca camphor,ZE-Asarone,883A989,A819627,Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-,trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene,Benzene, 1,2,4-trimethoxy-5-propenyl-, trans-,NSC107257,ASARONE, ALPHA-,MEGxp0_001333,1,2,4-Trimethoxy-5-(1E)-1-propen-1-ylbenzene,benzene, 1,2,4-trimethoxy-5-[(1E)-1-propenyl]-,Asaron,ZINC56550,EINECS 207-788-7,trans-Isoasarone,MFCD00064457,(E)-1,2,4-TRIMETHOXY-5-(PROP-1-EN-1-YL)BENZENE,1,2,4-Trimethoxy-5-propenylbenzene,(E)-1,2,4-Trimethoxy-5-(1-propenyl)benzene,1,2,4-Trimethoxy-5-(1-propenyl)-(E)-Benzene,1,2,4-trimethoxy-5-trans-propenyl-benzene,trans-2,4,5-Trimethoxyphenylprop-1-ene,alpha-Asarone, 98%,α-Asarone,CHEBI:78309,UNII-DQY9PNE5FK,DQY9PNE5FK,alpha -Asarone,trans-Isoasaron,C17846,(E)-1,2,4-Trimethoxy-5-prop-1-enylbenzene,Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-,Azaron,EINECS 220-743-6,17-(1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; compound with 1,2,4-trimethoxy-5-propenyl-benzene (Alphaasarone and cholesterol),Benzene,2,4-trimethoxy-5-propenyl-,(E)-1,2,4-trimethoxy-5-(prop-1-enyl)benzene,494-40-6,ASARONE;2,4,5-TRIMETHOXY-1-PROPENYLBENZENE,.ALPHA.-ASARON,ASARONE [HSDB],1,2,4-Trimethoxy-5-propenyl-trans-Benzene,Benzene, 1,2,4-trimethoxy-5-propenyl-,HY-N0700,Trans-(alpha )-asarone,N10790,Alpha-asarone alpha-asarone,AS-13278,2883-98-9,AI3-36725,Etherophenol,β-Asarone,Q-100365,Q419658,A-ASARONE,HSDB 3464,alpha-Asarone, analytical standard,1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene,4-06-00-07476 (Beilstein Handbook Reference),CCG-266644,1,2,4-trimethoxy-5-[(1E)-prop-1-enyl]benzene,benzene, 1,2,4-trimethoxy-5-(1E)-1-propen-1-yl-,NSC 107257,CCRIS 1596,AC-34898,Benzene,2,4-trimethoxy-5-(1-propenyl)-,cis-2,4,5-Trimethoxyphenylprop-1-ene,.ALPHA.-ASARONE,BRN 1910606,Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-,alpha-Asaron,trans-2,4,5-Trimethoxypropenylbenzene,1,2,4-Trimethoxy-5-propenyl-(E)-Benzene,(E)-Asarone,2,4,5-Trimethoxy-1-propenylbenzene

Estimated data

Solubility: -2.661 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 63.3% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.