General Characteristics
2D structure
NatID 1135
Common Name NatID_1135
Molecular Formula C15H18O5
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 278.115 g/mol
Other names

 

Representations
Smiles CC1=CCC(=O)[C@]2(C)CC[C@H]3[C@](C)(O)C(=O)O[C@@]34O[C@@]142
Inchi InChI=1S/C15H18O5/c1-8-4-5-10(16)12(2)7-6-9-13(3,18)11(17)19-15(9)14(8,12)20-15/h4,9,18H,5-7H2,1-3H3/t9-,12-,13-,14+,15+/m0/s1
Inchi Key LCXPFXMRWLVIAF-JLGPQHSXSA-N
3D Structure

 

Calculated Properties
clogP 1.09
TPSA 76.13
HBD 1
HBA 5
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 20
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9318 Vernonanthura pinguis No Unknown Borkosky, S., Bardón, A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1997). Glaucolides, hirsutinolides and other sesquiterpene lactones from Vernonanthura pinguis. Phytochemistry, 44(3), 465–470. https://doi.org/10.1016/s0031-9422(96)00481-5

 

Bioassay ID NPASS ID Target Activity type Activity