General Characteristics
2D structure
NatID 1497
Common Name NatID_1497
Molecular Formula C32H40O9
Chemical Class Steroids and steroid derivatives > Hydroxysteroids
Molecular Weight 568.267 g/mol
Other names 1943697-91-3

 

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](O)[C@@]3(O)CC=CC(=O)[C@]3(C)[C@H]1CC2
Inchi InChI=1S/C32H40O9/c1-16(24-15-29(4)31(6,41-29)28(40-24)39-18(3)34)20-12-19-9-10-22-21(27(19)23(13-20)38-17(2)33)14-26(36)32(37)11-7-8-25(35)30(22,32)5/h7-8,12-13,16,21-22,24,26,28,36-37H,9-11,14-15H2,1-6H3/t16-,21+,22-,24+,26+,28+,29-,30-,31+,32-/m0/s1
Inchi Key JNVNAWSCYOKZLY-GVKYTIRLSA-N
3D Structure

 

Calculated Properties
clogP 3.62
TPSA 131.89
HBD 2
HBA 9
Rotatable Bonds 4
Aromatic Rings 1
Heavy Atoms 41
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 9

 

Experiments
EID Source Semisynthetic? Confidence level References
10151 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
10152 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
10153 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