General Characteristics
2D structure
NatID 1412
Common Name NatID_1412
Molecular Formula C15H22
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 202.172 g/mol
Other names 227606-73-7

 

Representations
Smiles C[C@H]1CC=C2C1=CC(C)(C)C[C@@H]1C[C@]21C
Inchi InChI=1S/C15H22/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h6,9-11H,5,7-8H2,1-4H3/t10-,11+,15-/m0/s1
Inchi Key RPHSOXQGRPSDCV-RWSFTLGLSA-N
3D Structure

 

Calculated Properties
clogP 4.34
TPSA 0.00
HBD 0
HBA 0
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 15
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 0

 

Experiments
EID Source Semisynthetic? Confidence level References
10044 Lippia integrifolia No Low Fricke, C., Hardt, I. H., König, W. A., Joulain, D., Zygadlo, J. A., & Guzmàn, C. A. (1999). Sesquiterpenes from Lippia integrifolia Essential Oil. Journal of Natural Products, 62(5), 694–696. https://doi.org/10.1021/np980424v

 

Bioassay ID NPASS ID Target Activity type Activity