OR9
概要
| 表記: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol |
| 組成式: | C17 H17 N O2 |
| 電荷: | 0 |
| 化学式量: | 267.322 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 | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol |
| OpenEye OEToolkits | 2.0.7 | (6~{a}~{R})-6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol |
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 | C12Cc4ccc(c(c4c3c1c(CCN2C)ccc3)O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | VMWNQDUVQKEIOC-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34 |
| SMILES | CACTVS | 3.385 | CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O |
