General Characteristics
2D structure
NatID 1494
Common Name NatID_1494
Molecular Formula C28H34O6
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 466.236 g/mol
Other names 1943697-88-8

 

Representations
Smiles C[C@@H](c1ccc2c(c1)[C@@H](O)C[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1
Inchi InChI=1S/C28H34O6/c1-14(21-13-25(2)27(4,34-25)24(31)32-21)15-7-8-16-17-11-23-28(33-23)9-5-6-22(30)26(28,3)19(17)12-20(29)18(16)10-15/h5-8,10,14,17,19-21,23-24,29,31H,9,11-13H2,1-4H3/t14-,17-,19-,20-,21+,23-,24+,25-,26-,27+,28-/m0/s1
Inchi Key QVVMOPIONXCBOF-YZCDXSBISA-N
3D Structure

 

Calculated Properties
clogP 3.66
TPSA 91.82
HBD 2
HBA 6
Rotatable Bonds 2
Aromatic Rings 1
Heavy Atoms 34
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10142 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
10143 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
10144 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