General Characteristics
2D structure
NatID 1498
Common Name NatID_1498
Molecular Formula C34H42O10
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 610.278 g/mol
Other names 1943697-92-4

 

Representations
Smiles CC(=O)Oc1cc([C@H](C)[C@H]2C[C@]3(C)O[C@]3(C)[C@H](OC(C)=O)O2)cc2c1[C@@H]1C[C@@H](OC(C)=O)[C@@]3(O)CC=CC(=O)[C@]3(C)[C@H]1CC2
Inchi InChI=1S/C34H42O10/c1-17(26-16-31(5)33(7,44-31)30(43-26)42-20(4)37)22-13-21-10-11-24-23(29(21)25(14-22)40-18(2)35)15-28(41-19(3)36)34(39)12-8-9-27(38)32(24,34)6/h8-9,13-14,17,23-24,26,28,30,39H,10-12,15-16H2,1-7H3/t17-,23+,24-,26+,28+,30+,31-,32-,33+,34-/m0/s1
Inchi Key WSZOQNJLCPUOPJ-OCDOERSMSA-N
3D Structure

 

Calculated Properties
clogP 4.19
TPSA 137.96
HBD 1
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
10154 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
10155 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
10156 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