General Characteristics
2D structure
NatID 385
Common Name Epicubenol
Molecular Formula C15H24O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 220.183 g/mol
Other names

 

Representations
Smiles CC1=C[C@H]2C(=C(C)C)CC[C@@H](C)[C@@]2(O)CC1
Inchi InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9,12,14,16H,5-8H2,1-4H3/t12-,14+,15+/m1/s1
Inchi Key RLQQLZPOMNLHJN-SNPRPXQTSA-N
3D Structure

 

Calculated Properties
clogP 3.84
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9990 Croton hieronymi No High Catalán, C. A. N., de Heluani, C. S., Kotowicz, C., Gedris, T. E., & Herz, W. (2003). A linear sesterterpene, two squalene derivatives and two peptide derivatives from Croton hieronymi. Phytochemistry, 64(2), 625–629. https://doi.org/10.1016/s0031-9422(03)00202-4

 

Bioassay ID NPASS ID Target Activity type Activity