General Characteristics
2D structure
NatID 378
Common Name 3-[2-(3,5-dimethoxy-4-hydroxyphenyl)-3-hydroxymethyl-2,3-dihydro-1-benzofuran-5yl]-propan-1-ol,Hyaloserin
Molecular Formula C20H24O6
Chemical Class 2-arylbenzofuran flavonoids
Molecular Weight 360.157 g/mol
Other names

 

Representations
Smiles COc1cc([C@@H]2Oc3ccc(CCCO)cc3[C@H]2CO)cc(OC)c1O
Inchi InChI=1S/C20H24O6/c1-24-17-9-13(10-18(25-2)19(17)23)20-15(11-22)14-8-12(4-3-7-21)5-6-16(14)26-20/h5-6,8-10,15,20-23H,3-4,7,11H2,1-2H3/t15-,20+/m1/s1
Inchi Key USQTYLHBAXTPBI-QRWLVFNGSA-N
3D Structure

 

Calculated Properties
clogP 2.54
TPSA 88.38
HBD 3
HBA 6
Rotatable Bonds 7
Aromatic Rings 2
Heavy Atoms 26
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9287 Hyaloseris andrade-limae No Very High de Trimarco, J. T., de Riscala, E. C., Catalán, C. A. N., Griffin, C. L., & Herz, W. (2004). Sesquiterpene lactones and a neolignan from Hyaloseris andrade-limae. Biochemical Systematics and Ecology, 32(11), 1063–1067. https://doi.org/10.1016/j.bse.2004.02.013

 

Bioassay ID NPASS ID Target Activity type Activity