Secondary metabolite: Cyahookerin A Summary Molecular formula: C24H38O5
SMILES: C[C@@H]1OC(O[C@@H]1C)[C@@H]1[C@H]2C[C@H]3[C@@]([C@@]([C@@H]1O)(O2)O)(C)CC[C@@]1(C3=C(CC1)C(C)C)C InChI: InChI=1S/C24H38O5/c1-12(2)15-7-8-22(5)9-10-23(6)16(19(15)22)11-17-18(20(25)24(23,26)29-17)21-27-13(3)14(4)28-21/h12-14,16-18,20-21,25-26H,7-11H2,1-6H3/t13-,14+,16-,17-,18-,20-,21?,22-,23-,24-/m1/s1 InChIKey: AKDMKHJGBWDSQM-HGWOPZABSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Diterpenoids
Synonymous chemical names: cyahookerin a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 406.56 Log P RDKit 3.77 Topological polar surface area (Å2 ) RDKit 68.15 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 24 Number of heavy atoms RDKit 29 Number of heteroatoms RDKit 5 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 9 Stereochemical complexity RDKit 0.38 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 2 Number of sp3 hybridized carbon atoms RDKit 22 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.92 Shape complexity RDKit 0.92 Number of rotatable bonds SwissADME 2 Number of aliphatic carbocycles RDKit 2 Number of aliphatic heterocycles RDKit 3 Number of aliphatic rings RDKit 5 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 5 Number of saturated carbocycles RDKit 1 Number of saturated heterocycles RDKit 3 Number of saturated rings RDKit 4 Number of Smallest Set of Smallest Rings (SSSR) RDKit 5
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