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

Formal Charge0
Atom Count50
Chiral Atom Count3
Bond Count51
Aromatic Bond Count6
2D diagram of WNT
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Chemical Component Summary

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
FormulaC19 H24 O7
Molecular Weight364.39
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CC=Cc2c1
SMILESOpenEye OEToolkits2.0.7CC1CCCC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O
Canonical SMILESCACTVS3.385 COc1cc(O)c2C(=O)O[C@@H](C)CCCC(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H]1CCCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O
InChIInChI1.06 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
InChIKeyInChI1.06 WFIUAGOQGGAREU-DQMVDXCWSA-N

Related Resource References

Resource NameReference
PubChem 171156239