Safrole
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Safrole
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Data
InChI: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
Synonyms: ZINC2050,AI3-00514,AKOS016017163,Shikimole,CHEBI:8994,4-Allyl-1, 2-(methylenedioxy)benzene,NCGC00091122-05,1,2-(Methylenedioxy)-4-allylbenzene,3-(3,4-Methylenedioxyphenyl)prop-1-ene,5-19-01-00553 (Beilstein Handbook Reference),SPBio_000850,Tox21_202439,4-?Allyl-?1,2-?methylenedioxybenzene,1,2-methylenedioxy-4-allyl-Benzene,5-prop-2-enyl-1,3-benzodioxole,NSC-11831,EPA Pesticide Chemical Code 097901,[1,2-(Methylenedioxy)-4-allyl]benzene,1, 2-(Methylenedioxy)-4-allylbenzene,Allylcatechol methylene ether,NCGC00091122-01,Allylpyrocatechol methylene ether,NCGC00091122-04,5-?Allyl-?1,3-?benzodioxole,Safrole,Sassafras,NSC11831,3,4-(Methylenedioxy)allylbenzene,3-[(3,4-Methylenedioxy)phenyl]-1-propene,RSB34337V9,4-Allylpyrocatechol formaldehyde acetal,BSPBio_002810,DSSTox_GSID_21254,Allyldioxybenzene methylene ether,Shikomol,(1,2-(Methylenedioxy)-4-allyl)benzene,Safrole, >=97%,3-(3,4-methylendioxyphenyl)-1-propene,CCG-214763,Shikimol,FS-3451,m-Allylpyrocatechin methylene ether,KBioGR_002319,5-(prop-2-en-1-yl)-2H-1,3-benzodioxole,KBio2_004494,5-allyl-benzo-1,3-dioxole,HSDB 2653,4-Allyl-1,2-(methylenedioxy)benzene,DivK1c_001022,1-Allyl,3,4-methylenedioxy benzene,BRN 0136380,DTXSID0021254,5-(2-Propenyl)-1,3-benzodioxole,WLN: T56 BO DO CHJ G2U1,SDCCGMLS-0066708.P001,4-Allyl-1,2-(methylenedioxy)benzene, 8CI,KBio1_001022,5-Allylbenzo[1,3]dioxole,NCGC00091122-03,AC-34312,FT-0606467,EINECS 202-345-4,SAFROLE [IARC],DSSTox_CID_1254,Spectrum3_001105,3, 4-(Methylenedioxy)allylbenzene,CCRIS 553,M-ALLYL PYROCATECHINMETHYLENE ETHER,SAFROLE [MI],NINDS_001022,NCGC00259988-01,5-Allyl-1,3-benzodioxole,KBio2_001926,Safrene,1-Allyl-3,4-methylenedioxybenzene,KBio3_002030,SMR001216599,MLS001056251,RCRA waste no. U203,5-Allyl-1,3-benzodioxolerlet DS Base,Safrole MF,1, 5-(2-propenyl)-,94-59-7,DB-057512,BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE,SR-05000002392,RCRA waste number U203,NCGC00091122-02,DSSTox_RID_76041,Caswell No. 729,SR-05000002392-1,safrole,KBioSS_001926,CAS-94-59-7,UNII-RSB34337V9,Safrol,Rhyuno oil,Alda-89,1, 5-allyl-,1-Allyl-3,4-(methylenedioxy)benzene,SCHEMBL56828,(E)5-1-Propenyl]-1,3-benzodioxole,Q412424,3,4-methylenedioxy-allylbenzene,NCGC00091122-06,5-allylbenzo[d][1,3]dioxole,Benzene, 4-allyl-1,2-(methylenedioxy)-,4-Allyl-1,2-methylenedioxybenzene,5-prop-2-enylbenzo[1,3]dioxole,NCGC00254416-01,SCHEMBL13045858,HMS1922E22,IDI1_001022,4-Allyl-1,2-methylenedioxybenzene; 5-Prop-2-enyl-1,3-benzodioxole,SPECTRUM1503620,1,3-Benzodioxole, 5-(2-propen-1-yl)-,MFCD00005841,KBio2_007062,3,4-Methylenedioxyphenylprop-2-ene,NSC 11831,3,4-Methylenedioxy-allybenzene,Tox21_300520,Spectrum5_000843,Spectrum4_001939,(Allyldioxy)benzene methylene ether,1,2-Methylenedioxy-4-allylbenzene,5-(2-Propenyl)-1,3-benzodioxole, 9CI,CHEMBL242273,Spectrum2_000775,Spectrum_001446,HMS503M05,1,3-Benzodioxole, 5-(2-propenyl)-,SAFROLE [USP-RS],Benzene, 1,2-methylenedioxy-4-allyl-,5-allyl-benzo[1,3]dioxole,1,3-Benzodioxole, 5-allyl-,Safrole, certified reference material, TraceCERT(R),5-Prop-2-enyl-1,3-benzodioxole
Estimated data
Solubility: -2.304 (log(S) in mol/L prediction using SolTranNet)
Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)
Addictivity Prediction: 74.4% (prediction based on www.mdpi.com)
