Np mrd loader

Record Information
Version2.0
Created at2024-09-11 03:34:02 UTC
Updated at2024-09-11 03:34:03 UTC
NP-MRD IDNP0335856
Secondary Accession NumbersNone
Natural Product Identification
Common NameGanoderic acid Md
DescriptionGanoderic acid Md is also known as ganoderate MD. It was first documented in 2023 (PMID: 37287673). Based on a literature review a small amount of articles have been published on Ganoderic acid Md (PMID: 38581732) (PMID: 38381759).
Structure
Thumb
Synonyms
ValueSource
Ganoderate MDGenerator
Chemical FormulaC35H54O7
Average Mass586.8100 Da
Monoisotopic Mass586.38695 Da
IUPAC Name(2Z)-5-(acetyloxy)-6-[7-(acetyloxy)-4-methoxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
Traditional Name(2Z)-5-(acetyloxy)-6-[7-(acetyloxy)-4-methoxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
CAS Registry NumberNot Available
SMILES
COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)CCC(C(C)C(C\C=C(\C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O
InChI Identifier
InChI=1/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11-
InChI KeyUBGHTOOEMRLEGM-JAIQZWGSNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
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
logP5.88ChemAxon
pKa (Strongest Acidic)4.37ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area99.13 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity162.42 m³·mol⁻¹ChemAxon
Polarizability68.03 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Li Y, Li G, Zuo C, Wang X, Han F, Jia Y, Shang H, Tian Y: Discovery of ganoderic acid A (GAA) PROTACs as MDM2 protein degraders for the treatment of breast cancer. Eur J Med Chem. 2024 Apr 15;270:116367. doi: 10.1016/j.ejmech.2024.116367. Epub 2024 Apr 6. [PubMed:38581732 ]
  2. Chienwichai P, Tipthara P, Tarning J, Limpanont Y, Chusongsang P, Chusongsang Y, Kiangkoo N, Adisakwattana P, Reamtong O: Identification of trans-genus biomarkers for early diagnosis of intestinal schistosomiasis and progression of gut pathology in a mouse model using metabolomics. PLoS Negl Trop Dis. 2024 Feb 21;18(2):e0011966. doi: 10.1371/journal.pntd.0011966. eCollection 2024 Feb. [PubMed:38381759 ]
  3. Ahmad F, Singh G, Soni H, Tandon S: Identification of potential neuroprotective compound from Ganoderma lucidum extract targeting microtubule affinity regulation kinase 4 involved in Alzheimer's disease through molecular dynamics simulation and MMGBSA. Aging Med (Milton). 2022 Dec 12;6(2):144-154. doi: 10.1002/agm2.12232. eCollection 2023 Jun. [PubMed:37287673 ]