WNT
(4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione
| Created: | 2023-10-09 |
| Last modified: | 2025-01-22 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 50 |
| Chiral Atom Count | 3 |
| Bond Count | 51 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | (4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione |
| Systematic Name (OpenEye OEToolkits) | (4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione |
| Formula | C19 H24 O7 |
| Molecular Weight | 364.39 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | COc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CC=Cc2c1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O |
| Canonical SMILES | CACTVS | 3.385 | COc1cc(O)c2C(=O)O[C@@H](C)CCCC(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O |
| InChI | InChI | 1.06 | InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/t11-,15?,18-/m0/s1 |
| InChIKey | InChI | 1.06 | WFIUAGOQGGAREU-DQMVDXCWSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 171156239 |
