General Characteristics
2D structure
NatID 1496
Common Name NatID_1496
Molecular Formula C34H44O10
Chemical Class Prenol lipids > Terpene glycosides
Molecular Weight 612.293 g/mol
Other names 1943697-90-2

 

Representations
Smiles CC(=O)O[C@H]1O[C@@H]([C@@H](C)c2ccc3c(c2)CC[C@H]2[C@H]3C[C@@H](OC(C)=O)[C@@]3(O)CC=CC(=O)[C@]23C)C[C@@](C)(O)[C@]1(C)OC(C)=O
Inchi InChI=1S/C34H44O10/c1-18(27-17-31(5,39)33(7,44-21(4)37)30(43-27)42-20(3)36)22-10-12-24-23(15-22)11-13-26-25(24)16-29(41-19(2)35)34(40)14-8-9-28(38)32(26,34)6/h8-10,12,15,18,25-27,29-30,39-40H,11,13-14,16-17H2,1-7H3/t18-,25-,26-,27+,29+,30-,31+,32-,33+,34-/m0/s1
Inchi Key MHPBKDYXRWYYKL-CMWKMCFJSA-N
3D Structure

 

Calculated Properties
clogP 3.79
TPSA 145.66
HBD 2
HBA 10
Rotatable Bonds 5
Aromatic Rings 1
Heavy Atoms 44
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
10148 Curvularia lunata No Low Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310
10149 Rhizomucor miehei No Low Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310
10150 Cunninghamella elegans No Low Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310

 

Bioassay ID NPASS ID Target Activity type Activity