Secondary metabolite: Antrocamol LT1 Summary Molecular formula: C24H38O5
SMILES: COC1=C(OC)C(=O)C(C(C1O)CC=C(CCC=C(CC(C=C(C)C)O)C)C)C InChI: InChI=1S/C24H38O5/c1-15(2)13-19(25)14-17(4)10-8-9-16(3)11-12-20-18(5)21(26)23(28-6)24(29-7)22(20)27/h10-11,13,18-20,22,25,27H,8-9,12,14H2,1-7H3 InChIKey: YHFPMZZFCMHQCT-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Diterpenoids
Synonymous chemical names: antrocamol lt1
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 406.56 Log P RDKit 4.47 Topological polar surface area (Å2 ) RDKit 75.99 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 4 Stereochemical complexity RDKit 0.17 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 9 Number of sp3 hybridized carbon atoms RDKit 15 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.62 Shape complexity RDKit 0.62 Number of rotatable bonds SwissADME 10 Number of aliphatic carbocycles RDKit 1 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 1 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 1
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