General Characteristics
2D structure
NatID 1501
Common Name NatID_1501
Molecular Formula C34H44O10
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 612.293 g/mol
Other names 1943697-95-7

 

Representations
Smiles CC(=O)O[C@H]1C[C@]23O[C@H]2C[C@H]2c4ccc([C@H](C)[C@H]5C[C@]6(C)O[C@]6(C)[C@H](OC(C)=O)O5)cc4CC[C@@H]2[C@@]3(C)[C@@H](O)[C@@H]1OC(C)=O
Inchi InChI=1S/C34H44O10/c1-16(25-14-31(5)33(7,44-31)30(42-25)41-19(4)37)20-8-10-22-21(12-20)9-11-24-23(22)13-27-34(43-27)15-26(39-17(2)35)28(40-18(3)36)29(38)32(24,34)6/h8,10,12,16,23-30,38H,9,11,13-15H2,1-7H3/t16-,23-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33+,34-/m0/s1
Inchi Key VBGGYIUWRVJYFF-OOGFLAABSA-N
3D Structure

 

Calculated Properties
clogP 3.84
TPSA 133.42
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
10163 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
10164 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
10165 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 IDNPASS IDTargetActivity typeActivity
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