General Characteristics
2D structure
NatID 1237
Common Name NatID_1237
Molecular Formula C22H24O7
Chemical Class Naphthopyrans
Molecular Weight 400.152 g/mol
Other names 179419-78-4

 

Representations
Smiles CC(=O)O[C@]12CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)OC2=O
Inchi InChI=1S/C22H24O7/c1-13(23)29-22-8-7-21-12-27-18(24)15(21)4-3-5-17(21)20(22,2)10-16(28-19(22)25)14-6-9-26-11-14/h3-4,6,9,11,15-17H,5,7-8,10,12H2,1-2H3/t15-,16+,17+,20+,21+,22-/m0/s1
Inchi Key SMZNRRXYABGXSM-ICEHWQSNSA-N
3D Structure

 

Calculated Properties
clogP 3.11
TPSA 92.04
HBD 0
HBA 7
Rotatable Bonds 2
Aromatic Rings 1
Heavy Atoms 29
Aromatic Carbocycles 0
Aromatic Heterocycles 1
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
9506 Salvia reflexa No Very High Nieto, M., Gallardo V, O., Rossomando, P. C., & Tonn, C. E. (1996). 8-Hydroxysalviarin and 7,8-Didehydrorhyacophiline, Two New Diterpenes from Salvia reflexa. Journal of Natural Products, 59(9), 880–882. https://doi.org/10.1021/np960515x

 

Bioassay ID NPASS ID Target Activity type Activity