NaturAr
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General Characteristics
NatID
1670
Common Name
NatID_1670
Molecular Formula
C17H14O6
Chemical Class
Flavonoids > Flavones
Molecular Weight
314.079 g/mol
Other names
22399-73-1
Representations
Smiles
COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1OC
Inchi
InChI=1S/C17H14O6/c1-21-11-8-10(18)12-13(19)14(20)15(9-6-4-3-5-7-9)23-17(12)16(11)22-2/h3-8,18,20H,1-2H3
Inchi Key
CILMBWBPHLLNEH-UHFFFAOYSA-N
3D Structure
Download
Calculated Properties
clogP
2.89
TPSA
89.13
HBD
2
HBA
6
Rotatable Bonds
3
Aromatic Rings
3
Heavy Atoms
23
Aromatic Carbocycles
2
Aromatic Heterocycles
1
Number of NO
6
Experiments
EID
Source
Semisynthetic?
Confidence level
References
10373
Achyrocline tomentosa
No
Low
Ferraro, G. E., Martino, V. S., Villar, S. I., & Coussio, J. D. (1985). Flavonoids from Achyrocline tomentosa. Journal of Natural Products, 48(5), 817–818. https://doi.org/10.1021/np50041a019
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity