General Characteristics
2D structure
NatID 678
Common Name 3α-hydroxycarvotagenone
Molecular Formula C10H16O2
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 168.115 g/mol
Other names 3α−hidroxicarvotagenona

 

Representations
Smiles CC1=C[C@H](O)[C@@H](C(C)C)CC1=O
Inchi InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10+/m1/s1
Inchi Key ZFUJCNJIGDBFEP-SCZZXKLOSA-N
3D Structure

 

Calculated Properties
clogP 1.54
TPSA 37.30
HBD 1
HBA 2
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 12
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9854 Artemisia douglasiana No High Guerreiro, E., Garcia, E. E., Pestchanker, M. J., Enriz, R. D., Rodriguez, A. M., Maria, A., & Wendel, G. H. (1995). Cytoprotective Activity of Minor Constituents ofArtemisia Douglasiana. Natural Product Letters, 6(4), 269–280. https://doi.org/10.1080/10575639508043170