WHC is still in active development. Read this to understand our approach.
depiction of LUSZGTFNYDARNI-UHFFFAOYSA-N.svg
isomerdesign

Sesamol

Check on isomerdesign

pubchem

Sesamol

Check on pubchem

Data

InChI: InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2

Synonyms: CS-0016841,NCGC00091628-01,1,2,4-Benzenetriol methylene ether,3,4-methylenedioxy-phenol,AKOS005493905,2H-1,3-Benzodioxol-5-Ol,ZINC164504,4-hydroxy-1,2-methylenedioxybenzene,4,5-methylenedioxyphenol,DTXSID9021267,Phenol, 3,4-(methylenedioxy)-,5-hydroxylbenzo[1,3]dioxolane,5-hydroxy-1,3-benzodioxolane,Sesamol, 98%,1,3-Benzodioxol-5-ol,NSC-59256,1, 3-Benzodioxol-5-ol,NCGC00258763-01,ORISTAR MDP,NSC59256,Sesamol,1,3-dioxaindan-5-ol,DSSTox_RID_76047,3ao1,Phenol,4-(methylenedioxy)-,533-31-3,(3,4-methylenedioxy)phenol,5-Benzodioxolol,1,3-Benzodioxol-5-ol (Sesamol),CCG-266144,sesamol titanium (+4),BDBM36291,SR-01000944738,benzodioxol-5-ol,BBL027539,5-Hydroxybenzo[1,3]dioxole,5-19-02-00532 (Beilstein Handbook Reference),Sesamol, analytical standard,CHEMBL1517998,Q418080,sesamol lithium,UNII-94IEA0NV89,Tox21_201211,Z104473678,EINECS 208-561-5,S0418,94IEA0NV89,CCRIS 1386,WLN: T56 BO DO CHJ GQ,NCGC00091628-02,DB-021955,Sesamol, purum, >=98.0% (GC),DSSTox_CID_1267,MFCD00005827,DSSTox_GSID_21267,sesamol, ion (1+),AC-35089,s3626,3,4-methylendioxy-phenol,3,4-(Methylenedioxy)-Phenol,SR-01000944738-1,SY015819,FT-0614403,HY-N1417,Sesamol, Vetec(TM) reagent grade, 98%,BRN 0127405,sesamol sodium,533S313,F0001-1376,3,4 Methylenedioxy Phenol,GF-0128,CAS-533-31-3,benzo[1,3]dioxol-5-ol,HSDB 8495,STK568334,3,4-methylenedioxy phenol,1,3-Benzodioxol-5-ol, 9CI,1,3-benzodioxol-5-ol,SCHEMBL20959,3,4-Methylenedioxyphenol,5-Hydroxy-1,3-benzodioxole,AI3-17298,Sesamol-[d2],3,4-METHYLENEDIOXYPHENOL [INCI],3,4-(Methylenedioxy)phenol,5-Hydroxy-1,3-benzodioxole;5-Benzodioxolol;3,4-Methylendioxyphenol;3,4-methylenedioxyphenoL;3,4-(Methylenedioxy)phenol, sesamoL;1,3-Benzodioxol-5-ol,EN300-19382,Methylene ether of oxyhydroquinone,5-Hydroxy-1, 3-benzodioxole,A25062,benzo[d][1,3]dioxol-5-ol,5-hydroxy-benzo[1.3]dioxole,W-105747,BZX,NSC 59256,SDCCGMLS-0066221.P001,CHEBI:9126,AC-11668,BCP14043,3,4-Methylendioxyphenol

Estimated data

Solubility: -1.391 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: No (prediction using frontiersin.org)

Addictivity Prediction: 67.7% (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.