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Record Information
Version2.0
Created at2021-01-05 22:31:20 UTC
Updated at2021-07-15 17:13:22 UTC
NP-MRD IDNP0013025
Secondary Accession NumbersNone
Natural Product Identification
Common NameGanodermalactone B
Provided ByNPAtlasNPAtlas Logo
Description Ganodermalactone B is found in Ganoderma and Ganoderma colossum (FR.) C.F.BAKER. Based on a literature review very few articles have been published on Ganodermalactone B.
Structure
Thumb
Synonyms
ValueSource
[(2R,8R,12R,15R,16R)-7,7,12,16-Tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-5-oxo-6-oxatetracyclo[9.7.0.0,.0,]octadec-1(11)-en-2-yl]methyl acetic acidGenerator
Chemical FormulaC32H46O6
Average Mass526.7140 Da
Monoisotopic Mass526.32944 Da
IUPAC Name[(2R,8R,12R,15R,16R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-5-oxo-6-oxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadec-1(11)-en-2-yl]methyl acetate
Traditional Name[(2R,8R,12R,15R,16R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6-oxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadec-1(11)-en-2-yl]methyl acetate
CAS Registry NumberNot Available
SMILES
C[C@@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(COC(C)=O)CCC(=O)OC(C)(C)[C@@H]1CC3)[C@@H]1CC=C(C)C(=O)O1
InChI Identifier
InChI=1S/C32H46O6/c1-19-8-10-25(37-28(19)35)20(2)22-12-15-31(7)23-9-11-26-29(4,5)38-27(34)14-17-32(26,18-36-21(3)33)24(23)13-16-30(22,31)6/h8,20,22,25-26H,9-18H2,1-7H3/t20-,22+,25-,26-,30+,31-,32-/m0/s1
InChI KeyPKHFZHSYUYWRMN-UANBTYQASA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
GanodermaNPAtlas
Ganoderma colossum (FR.) C.F.BAKERFungi
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP6.18ALOGPS
logP5.44ChemAxon
logS-5.8ALOGPS
pKa (Strongest Basic)-6.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.9 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity145.63 m³·mol⁻¹ChemAxon
Polarizability60.09 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA017052
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID78438309
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound139043749
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References