General Characteristics
2D structure
NatID 386
Common Name T-cadinol
Molecular Formula C15H26O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 222.198 g/mol
Other names

 

Representations
Smiles CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@@H]2CC1
Inchi InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15-/m0/s1
Inchi Key LHYHMMRYTDARSZ-XQLPTFJDSA-N
3D Structure

 

Calculated Properties
clogP 3.78
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9992 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