General Characteristics
2D structure
NatID 1379
Common Name NatID_1379
Molecular Formula C20H30O2
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 302.225 g/mol
Other names

 

Representations
Smiles CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C(=O)O)C=C[C@@]3(CC[C@H]12)C4
Inchi InChI=1S/C20H30O2/c1-17(2)7-4-8-18(3)14(17)5-9-19-11-12-20(13-19,16(21)22)10-6-15(18)19/h11-12,14-15H,4-10,13H2,1-3H3,(H,21,22)/t14-,15+,18-,19+,20+/m1/s1
Inchi Key DTGDFYCZENUAMR-LEEVSCAKSA-N
3D Structure

 

Calculated Properties
clogP 5.04
TPSA 37.30
HBD 1
HBA 1
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 22
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9850 Petunia patagonica No High Guerreiro, E., De Fernandez, J., & Giordano, O. S. (1984). Beyerene derivatives and other constituents from Petunia patagonica. Phytochemistry, 23(12), 2871–2873. https://doi.org/10.1016/0031-9422(84)83032-0

 

Bioassay ID NPASS ID Target Activity type Activity