08V
概要
| 表記: | glaucine |
| 別名: | (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| 組成式: | C21 H25 N O4 |
| 電荷: | 0 |
| 化学式量: | 355.428 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| OpenEye OEToolkits | 2.0.7 | (6~{a}~{S})-1,2,9,10-tetramethoxy-6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline |
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 | 12.01 | COc1cc2c(CC3c4c(CCN3C)cc(OC)c(OC)c24)cc1OC |
| InChI | InChI | 1.03 | InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | RUZIUYOSRDWYQF-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34 |
| SMILES | CACTVS | 3.385 | COc1cc2C[CH]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3cc(c(c4)OC)OC)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)OC)OC)OC |
