NaturAr
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General Characteristics
NatID
40
Common Name
Altamisic acid
Molecular Formula
C15H20O5
Chemical Class
Prenol lipids > Terpene lactones
Molecular Weight
280.131 g/mol
Other names
Representations
Smiles
C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C(CCC(=O)O)[C@@]2(C)O
Inchi
InChI=1S/C15H20O5/c1-8-4-5-10-9(2)14(18)20-13(10)15(3,19)11(8)6-7-12(16)17/h10,13,19H,2,4-7H2,1,3H3,(H,16,17)/t10-,13+,15+/m0/s1
Inchi Key
PPUVIGSDWLRHCY-PSOPSSQASA-N
3D Structure
Download
Calculated Properties
clogP
1.81
TPSA
83.83
HBD
2
HBA
4
Rotatable Bonds
3
Aromatic Rings
0
Heavy Atoms
20
Aromatic Carbocycles
0
Aromatic Heterocycles
0
Number of NO
5
Experiments
EID
Source
Semisynthetic?
Confidence level
References
9248
Ambrosia tenuifolia
No
Very High
Oberti, J. C., Silva, G. L., Sosa, V. E., Kulanthaivel, P., & Herz, W. (1986). Ambrosanolides and secoambrosanolides from Ambrosia tenuifolia. Phytochemistry, 25(6), 1355–1358. https://doi.org/10.1016/s0031-9422(00)81289-3
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity