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Record Information
Version2.0
Created at2021-01-06 05:02:00 UTC
Updated at2021-07-15 17:31:13 UTC
NP-MRD IDNP0019529
Secondary Accession NumbersNone
Natural Product Identification
Common NameGanodermalactone K
Provided ByNPAtlasNPAtlas Logo
Description Ganodermalactone K is found in Tomophagus sp. Based on a literature review very few articles have been published on Ganodermalactone K.
Structure
Thumb
Synonyms
ValueSource
[(1R,2S,8R,12R,15R,16R,18R)-7,7,12,16-Tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.0,.0,.0,]nonadec-10-en-2-yl]methyl acetic acidGenerator
Chemical FormulaC32H44O7
Average Mass540.6970 Da
Monoisotopic Mass540.30870 Da
IUPAC Name[(1R,2S,8R,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.0^{1,18}.0^{2,8}.0^{12,16}]nonadec-10-en-2-yl]methyl acetate
Traditional Name[(1R,2S,8R,12R,15R,16R,18R)-7,7,12,16-tetramethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.0^{1,18}.0^{2,8}.0^{12,16}]nonadec-10-en-2-yl]methyl acetate
CAS Registry NumberNot Available
SMILES
C[C@@H]([C@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@](COC(C)=O)(CCC(=O)OC4(C)C)[C@]33O[C@@H]3C[C@]12C)[C@@H]1CC=C(C)C(=O)O1
InChI Identifier
InChI=1S/C32H44O7/c1-18-8-9-22(37-27(18)35)19(2)21-12-14-29(6)24-11-10-23-28(4,5)39-26(34)13-15-31(23,17-36-20(3)33)32(24)25(38-32)16-30(21,29)7/h8,11,19,21-23,25H,9-10,12-17H2,1-7H3/t19-,21+,22-,23-,25+,29-,30+,31+,32-/m0/s1
InChI KeyFYIANMAHJHGDPG-XRUYFVBTSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Tomophagus sp.NPAtlas
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
logP5.71ALOGPS
logP4.56ChemAxon
logS-5.9ALOGPS
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area91.43 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity145.13 m³·mol⁻¹ChemAxon
Polarizability59.26 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA025101
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound145720873
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References