HQH
Summary
| Name: | Piericidin A |
| Formula: | C25 H37 N O4 |
| Formal charge: | 0 |
| Formula weight: | 415.566 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2,3-dimethoxy-5-methyl-6-[(2~{E},5~{E},7~{E},9~{R},10~{R},11~{E})-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]-1~{H}-pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1 |
| InChIKey | InChI | 1.03 | BBLGCDSLCDDALX-LKGBESRRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1=C(OC)C(=O)C(=C(C\C=C(/C)C\C=C\C(C)=C\[C@@H](C)[C@@H](O)C(/C)=C/C)N1)C |
| SMILES | CACTVS | 3.385 | COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH](C)[CH](O)C(C)=CC)N1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC=C(C)C(C(C)C=C(C)C=CCC(=CCC1=C(C(=O)C(=C(N1)OC)OC)C)C)O |
