General Characteristics
2D structure
NatID 1383
Common Name NatID_1383
Molecular Formula C20H24O7
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 376.152 g/mol
Other names

 

Representations
Smiles CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1OC(=O)[C@@]23CCC[C@](C)(CO)C3[C@H]1O
Inchi InChI=1S/C20H24O7/c1-8(2)9-12(22)10-11(14(24)13(9)23)20-6-4-5-19(3,7-21)17(20)15(25)16(10)27-18(20)26/h8,15-17,21,23,25H,4-7H2,1-3H3/t15-,16+,17?,19+,20-/m0/s1
Inchi Key BROROJVFCBHECH-TVHPQVIFSA-N
3D Structure

 

Calculated Properties
clogP 0.99
TPSA 121.13
HBD 3
HBA 7
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 27
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
9868 Salvia cuspidata subsp. gilliesii No Unknown Nieto, M., Garcı́a, E. E., Giordano, O. S., & Tonn, C. E. (2000). Icetexane and abietane diterpenoids from Salvia gilliessi. Phytochemistry, 53(8), 911–915. https://doi.org/10.1016/s0031-9422(99)00480-x

 

Bioassay ID NPASS ID Target Activity type Activity