Características Generales
2D structure
NatID 1500
Nombre Común NatID_1500
Fórmula Molecular C28H38O7
Tipo Químico Prenol lipids > Sesquiterpenoids
Peso Molecular 486.262 g/mol
Otros nombres 1943697-94-6

 

Representaciones
Smiles C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23C[C@H](O)[C@@H](O)[C@H](O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1
Inchi InChI=1S/C28H38O7/c1-13(20-12-25(2)27(4,35-25)24(32)33-20)14-5-7-16-15(9-14)6-8-18-17(16)10-21-28(34-21)11-19(29)22(30)23(31)26(18,28)3/h5,7,9,13,17-24,29-32H,6,8,10-12H2,1-4H3/t13-,17-,18-,19-,20+,21-,22+,23-,24+,25-,26-,27+,28-/m0/s1
Inchi Key NWYFPYYRYOJERJ-VWVFCZNWSA-N
Estructura 3D

 

Propiedades calculadas
clogP 2.13
TPSA 115.21
HBD 4
HBA 7
Enlaces Rotables 2
Anillos aromáticos 1
Átomos pesados 35
Carbociclos Aromáticos 1
Heterociclos Aromáticos 0
Número de NO 7

 

Experimentos
EID Fuente Semisintético? Confidence level Referencias
10160 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
10161 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
10162 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