Compound Summary
mulberrin
Compound Information
mulberrin
Compound Name: | mulberrin |
Compound CID: | 5481958 |
Synonyms: | Mulberrin |
Iupac Name: | 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one |
InChI: | InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 |
InChIKey: | UWQYBLOHTQWSQD-UHFFFAOYSA-N |
Canonical Smiles: | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C |
Isomeric Smiles: | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C |
Molecular Weight: | 422.5 |
Molecular Formula: | C25H26O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
mulberrin
Molecular Weight: | 422.5 |
Molecular Formula: | C25H26O6 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 31 |
Complexity: | 758 |
Synonyms
mulberrin
Experimental Data
mulberrin
Experimental Data Visualization
mulberrin
Statistics Data
mulberrin
Statistics Data Visualization
mulberrin
