General Characteristics
2D structure
NatID 375
Common Name 14-Hydroxypseudoivalin
Molecular Formula C16H22O3
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 262.157 g/mol
Other names

 

Representations
Smiles C=C1C(=O)C[C@@H]2CC(CO)=C3CC[C@@](C)(O)[C@H]3C[C@@H]12
Inchi InChI=1S/C16H22O3/c1-9-13-7-14-12(3-4-16(14,2)19)11(8-17)5-10(13)6-15(9)18/h10,13-14,17,19H,1,3-8H2,2H3/t10-,13-,14-,16+/m0/s1
Inchi Key IPOMRPPDIJVKHC-LOHUMSBYSA-N
3D Structure

 

Calculated Properties
clogP 1.99
TPSA 57.53
HBD 2
HBA 3
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 19
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9286 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