MYC
概要
| 表記: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE |
| 別名: | 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE 3,3',4',5,5',7-HEXAHYDROXYFLAVONE; MYRICETIN; CANNABISCETIN |
| 組成式: | C15 H10 O8 |
| 電荷: | 0 |
| 化学式量: | 318.235 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one |
| OpenEye OEToolkits | 1.5.0 | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O |
| SMILES | CACTVS | 3.341 | Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H |
| InChIKey | InChI | 1.03 | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
