General Characteristics
2D structure
NatID 1499
Common Name NatID_1499
Molecular Formula C28H34O6
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 466.236 g/mol
Other names 1943697-93-5

 

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

 

Calculated Properties
clogP 3.14
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
10157 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
10158 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
10159 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