| 2D Structure | |
| CID | 20525 |
| Target | ACHE , CYP19A1 , CYP1A2 , CYP2C19 , CYP2D6 , ESR1 , ESRRA , GAA , GLI3 , MGAM , Probable maltase , SI , SMAD3 |
| IUPAC Name | 2,4,5-trimethoxybenzaldehyde |
| InChI | InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3 |
| InChI Key | IAJBQAYHSQIQRE-UHFFFAOYSA-N |
| Canonical SMILES | COC1=CC(=C(C=C1C=O)OC)OC |
| Isomeric SMILES | COC1=CC(=C(C=C1C=O)OC)OC |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.20 |
| synonyms | ['2,4,5-TRIMETHOXYBENZALDEHYDE', '4460-86-0', 'Asaraldehyde', 'Asaronaldehyde', 'Asarylaldehyde', 'Benzaldehyde, 2,4,5-trimethoxy-', 'NSC 89299', 'NCI-C61632', 'CCRIS 1296', '2,4,5-trimethoxy-benzaldehyde', 'HSDB 4502', 'UNII-NDU8J2Q00D', 'EINECS 224-713-3', '2,4,5-trimethoxylbenzaldehyde', 'BRN 1951403', 'DTXSID1022217', 'AI3-36671', 'NSC-89299', 'DTXCID702217', '4-08-00-02715 (Beilstein Handbook Reference)', 'TRIMETHOXYBENZALDEHYDE, 2,4,5-', '2,4,5-TRIMETHOXYBENZALDEHYDE [HSDB]', '3,4,6Trimethoxybenzaldehyde', 'Benzaldehyde, 2,4,5trimethoxy', '2,4,5-TRIHYDROXYBENZALDEHYDE, 2,4,5-TRIMETHYL ETHER', 'iajbqayhsqiqre-uhfffaoysa-n', 'inchi=1/c10h12o4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6h,1-3h', 'Azarylaldehyde', 'Gazarin', '3,4,6-Trimethoxybenzaldehyde', '14374-62-0', 'MFCD00003312', 'NDU8J2Q00D', '2,4,5-Trimethoxy benzaldehyde', 'NCGC00091253-05', 'SMR000112148', 'Acrolein(Propenal)', 'Spectrum_000818', 'Asaraldehyde (Standard)', 'Spectrum2_000386', 'Spectrum3_000170', 'Spectrum4_001759', 'Spectrum5_000618', '2,5-Trimethoxybenzaldehyde', '3,6-Trimethoxybenzaldehyde', 'Asaraldehyde (Asaronaldehyde)', 'BSPBio_001639', 'KBioGR_002238', 'KBioSS_001298', 'SPECTRUM200208', 'MLS002473312', 'MLS002695891', 'MLS006011864', '2,4,5-Trimethoxybenzaldheyde', 'SCHEMBL333451', 'SPBio_000571', '2,4,5-Trimethoxy-benzaldehyd', '3,4, 6-Trimethoxybenzaldehyde', 'CHEMBL1164301', '2,4,5-tri-methoxy benzaldehyde', 'KBio2_001298', 'KBio2_003866', 'KBio2_006434', 'KBio3_001139', 'CHEBI:113543', 'Asarylaldehyde, analytical standard', 'BCPP000436', 'HMS1922P08', 'HMS2268O16', 'HMS3656M12', 'HMS3884N06', 'BCP02914', 'NSC89299', 'Tox21_400070', 'BBL011033', 'CCG-38657', 'CK2093', 's2531', 'STK802187', '2,4,5-Trimethoxybenzaldehyde, 98%', 'AKOS000119399', 'AC-4247', 'BCP9000230', 'CS-6035', 'FT71343', 'HY-100580R', 'PS-6109', 'SDCCGMLS-0066425.P001', 'NCGC00091253-01', 'NCGC00091253-02', 'NCGC00091253-03', 'NCGC00091253-04', 'NCGC00091253-06', 'NCGC00091253-07', 'SY015794', '2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI', 'BCP0726000304', 'CAS-4460-86-0', 'DB-051236', 'HY-100580', 'NS00015122', 'SW219241-1', 'T1172', 'EN300-20248', 'AP-065/41884113', 'SR-05000002433', 'SR-05000002433-1', 'BRD-K88219015-001-02-5', 'BRD-K88219015-001-05-8', 'BRD-K88219015-001-10-8', 'Q27194435', 'F2190-0582', 'Z104477478', '2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%'] |
From Pubchem