J0U
Summary
| Name: | (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one |
| Synonyms: | Kurarinone |
| Formula: | C26 H30 O6 |
| Formal charge: | 0 |
| Formula weight: | 438.513 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2~{R})-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1 |
| InChIKey | InChI | 1.03 | LTTQKYMNTNISSZ-MWTRTKDXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O[C@@H](CC(=O)c12)c3ccc(O)cc3O |
| SMILES | CACTVS | 3.385 | COc1cc(O)c(C[CH](CC=C(C)C)C(C)=C)c2O[CH](CC(=O)c12)c3ccc(O)cc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CC[C@H](Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCC(Cc1c(cc(c2c1OC(CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C |
