| 2D Structure | |
| CID | 5144 |
| Target | CASP3 , CASP7 , CYP1A2 , CYP1A2 , NR1I2 |
| IUPAC Name | 5-prop-2-enyl-1,3-benzodioxole |
| InChI | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
| InChI Key | ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
| Canonical SMILES | C=CCC1=CC2=C(C=C1)OCO2 |
| Isomeric SMILES | C=CCC1=CC2=C(C=C1)OCO2 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.18 |
| synonyms | ['safrole', '94-59-7', 'Safrol', '5-Allyl-1,3-benzodioxole', 'Shikimole', 'Shikomol', 'Safrene', 'Safrole MF', 'Shikimol', '1,3-Benzodioxole, 5-(2-propenyl)-', 'Allylcatechol methylene ether', '5-(2-Propenyl)-1,3-benzodioxole', 'm-Allylpyrocatechin methylene ether', '4-Allyl-1,2-methylenedioxybenzene', 'Allylpyrocatechol methylene ether', '3,4-(Methylenedioxy)allylbenzene', '4-Allylpyrocatechol formaldehyde acetal', '5-prop-2-enyl-1,3-benzodioxole', '1-Allyl-3,4-methylenedioxybenzene', 'Allyldioxybenzene methylene ether', 'RCRA waste number U203', 'Caswell No. 729', '1,2-Methylenedioxy-4-allylbenzene', 'Benzene, 4-allyl-1,2-(methylenedioxy)-', '1,3-Benzodioxole, 5-allyl-', 'CCRIS 553', 'NSC 11831', 'Benzene, 1,2-methylenedioxy-4-allyl-', 'HSDB 2653', 'EINECS 202-345-4', 'EPA Pesticide Chemical Code 097901', 'UNII-RSB34337V9', 'BRN 0136380', 'CHEBI:8994', '3,4-methylenedioxy-allylbenzene', '3-(3,4-Methylenedioxyphenyl)prop-1-ene', 'DTXSID0021254', 'AI3-00514', 'RSB34337V9', 'NSC-11831', '4-Allyl-1,2-(methylenedioxy)benzene', 'DTXCID601254', '5-19-01-00553 (Beilstein Handbook Reference)', 'NSC11831', '1,2-methylenedioxy-4-allyl-Benzene', 'M-ALLYL PYROCATECHINMETHYLENE ETHER', 'SAFROLE (IARC)', 'SAFROLE [IARC]', 'SAFROLE (USP-RS)', 'SAFROLE [USP-RS]', '5-allyl-benzo(1,3)dioxole', '5-allyl-benzo[1,3]dioxole', 'Safroles', 'Safrols', 'Safrol glass', '4 Allyl 1,2 methylenedioxybenzene', '4-Allyl-1,2-methylenedioxybenzenes', 'NCI-C00362', '5-(2-propen-1-yl)-1,3-benzodioxole', 'USEPA/OPP Pesticide Code: 097901', '202-345-4', 'Sassafras', 'Alda-89', '(Allyldioxy)benzene methylene ether', '1-Allyl-3,4-(methylenedioxy)benzene', '(1,2-(Methylenedioxy)-4-allyl)benzene', '1,3-Benzodioxole, 5-(2-propen-1-yl)-', '5-(prop-2-en-1-yl)-2H-1,3-benzodioxole', 'CAS-94-59-7', '[1,2-(Methylenedioxy)-4-allyl]benzene', 'RCRA waste no. U203', '5-allylbenzo[d][1,3]dioxole', 'Spectrum_001446', 'Safrole, >=97%', '1, 5-allyl-', 'SAFROLE [MI]', '3-[(3,4-Methylenedioxy)phenyl]-1-propene', 'Spectrum2_000775', 'Spectrum3_001105', 'Spectrum4_001939', 'Spectrum5_000843', '1, 5-(2-propenyl)-', '5-allyl-benzo-1,3-dioxole', 'SCHEMBL56828', 'BSPBio_002810', 'KBioGR_002319', 'KBioSS_001926', 'MLS001056251', 'DivK1c_001022', 'SPECTRUM1503620', 'SPBio_000850', '3,4-Methylenedioxy-allybenzene', 'Safrole, 10mg/ml in Methanol', 'CHEMBL242273', '5-?Allyl-?1,3-?benzodioxole', 'SCHEMBL13045858', 'HMS503M05', 'KBio1_001022', 'KBio2_001926', 'KBio2_004494', 'KBio2_007062', 'KBio3_002030', 'NINDS_001022', 'GLXC-10201', 'HMS1922E22', '3, 4-(Methylenedioxy)allylbenzene', '1-Allyl,3,4-methylenedioxy benzene', 'Tox21_202439', 'Tox21_300520', '1,2-(Methylenedioxy)-4-allylbenzene', 'WLN: T56 BO DO CHJ G2U1', '(E)5-1-Propenyl]-1,3-benzodioxole', 'AKOS016017163', '1, 2-(Methylenedioxy)-4-allylbenzene', '4-?Allyl-?1,2-?methylenedioxybenzene', '4-Allyl-1, 2-(methylenedioxy)benzene', '5-Allyl-1,3-benzodioxolerlet DS Base', 'CCG-214763', 'FS-3451', 'SDCCGMLS-0066708.P001', '3-(3,4-methylendioxyphenyl)-1-propene', 'IDI1_001022', 'NCGC00091122-01', 'NCGC00091122-02', 'NCGC00091122-03', 'NCGC00091122-04', 'NCGC00091122-05', 'NCGC00091122-06', 'NCGC00091122-07', 'NCGC00254416-01', 'NCGC00259988-01', 'AC-34312', 'SMR001216599', '5-(2-Propenyl)-1,3-benzodioxole, 9CI', '4-Allyl-1,2-(methylenedioxy)benzene, 8CI', 'DB-057512', 'NS00017606', 'S0002', 'Q412424', 'SR-05000002392', 'Safrole, certified reference material, TraceCERT(R)', 'SR-05000002392-1', 'BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE', '4-Allyl-1,2-methylenedioxybenzene; 5-Prop-2-enyl-1,3-benzodioxole', 'InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H'] |
From Pubchem