NaturAr
Home
(current)
Compounds
Sources
References
Assays
About
Help
Sign Up
Log In
General Characteristics
NatID
1335
Common Name
NatID_1335
Molecular Formula
C15H20O4
Chemical Class
Prenol lipids > Terpene lactones
Molecular Weight
264.136 g/mol
Other names
Representations
Smiles
C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2C(=C)CC[C@@H]12
Inchi
InChI=1S/C15H20O4/c1-8-4-6-11-13(12-9(2)3-5-10(8)12)19-14(17)15(11,18)7-16/h10-13,16,18H,1-7H2/t10-,11+,12-,13-,15-/m0/s1
Inchi Key
RQNNFZZLPUJGMA-KBRXKUPHSA-N
3D Structure
Download
Calculated Properties
clogP
1.18
TPSA
66.76
HBD
2
HBA
4
Rotatable Bonds
1
Aromatic Rings
0
Heavy Atoms
19
Aromatic Carbocycles
0
Aromatic Heterocycles
0
Number of NO
4
Experiments
EID
Source
Semisynthetic?
Confidence level
References
9663
Helianthus petiolaris
No
Very High
Meragelman, K. M., Espinar, L. A., & Sosa, V. E. (1998). New Sesquiterpene Lactones and Other Constituents from Helianthus petiolaris. Journal of Natural Products, 61(1), 105–107. https://doi.org/10.1021/np9701384
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity