Secondary metabolite: Ganoderenic acid AM1 Summary Molecular formula: C30H40O7
SMILES: O=C(C/C(=C/1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)/C)CC(C(=O)O)C InChI: InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h16,21-22,34H,8-14H2,1-7H3,(H,36,37)/b18-15+/t16?,21?,22-,28-,29+,30-/m0/s1 InChIKey: FWDQERNWSKUHAW-LKYKQUBPSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: ganoderenic acid am1
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 512.64 Log P RDKit 4.4 Topological polar surface area (Å2 ) RDKit 125.81 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 30 Number of heavy atoms RDKit 37 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 6 Stereochemical complexity RDKit 0.2 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 21 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.7 Shape complexity RDKit 0.7 Number of rotatable bonds SwissADME 5 Number of aliphatic carbocycles RDKit 4 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 4 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 4 Number of saturated carbocycles RDKit 2 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 4
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