Ganodermalactone D

Details

• Internal ID: 33df5225-64a8-4169-b786-d733d96bd03b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: methyl 3-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-3-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-6-yl]propanoate
• InChI: InChI=1S/C33H48O8/c1-19-17-25(35)28(41-29(19)37)20(2)22-11-14-32(7)23-9-10-26(30(4,5)38)33(18-40-21(3)34,16-13-27(36)39-8)24(23)12-15-31(22,32)6/h9,12,17,20,22,25-26,28,35,38H,10-11,13-16,18H2,1-8H3/t20-,22+,25-,26-,28+,31+,32-,33-/m0/s1
• InChI Key: MLFKTFLFHVRFER-SCDJEVGSSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₃H₄₈O₈
• Molecular Weight: 572.70 g/mol
• Exact Mass: 572.33491849 g/mol
• Topological Polar Surface Area (TPSA): 119.00 Ų
• XlogP: 4.30

Synonyms

• methyl 3-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-3-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-6-yl]propanoate
• Methyl 3-((3R,3ar,6R,7R,9BR)-6-((acetyloxy)methyl)-3-((1S)-1-((2R,3S)-3-hydroxy-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-1H,2H,3H,3ah,4H,6H,7H,8H,9BH-cyclopenta(a)naphthalen-6-yl)propanoic acid
• methyl 3-((3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-3-((1S)-1-((2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl)-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-1,2,3,4,7,8-hexahydrocyclopenta(a)naphthalen-6-yl)propanoate
• Methyl 3-[(3R,3ar,6R,7R,9BR)-6-[(acetyloxy)methyl]-3-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-1H,2H,3H,3ah,4H,6H,7H,8H,9BH-cyclopenta[a]naphthalen-6-yl]propanoic acid
• RefChem:142496
• CHEMBL4560133
• CHEBI:222895

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL253	P34972	Cannabinoid CB2 receptor	98.95%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.60%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.45%	98.95%
CHEMBL2996	Q05655	Protein kinase C delta	95.24%	97.79%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.37%	94.45%
CHEMBL2782	P35610	Acyl coenzyme A:cholesterol acyltransferase 1	93.39%	91.65%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.00%	95.56%
CHEMBL5028	O14672	ADAM10	90.76%	97.50%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.41%	96.09%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	89.45%	96.77%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	88.59%	91.07%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.57%	85.14%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	88.16%	92.62%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.03%	99.23%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	87.31%	97.14%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	86.84%	96.47%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	85.14%	95.71%
CHEMBL4227	P25090	Lipoxin A4 receptor	84.40%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.72%	95.89%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.65%	89.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.34%	93.56%
CHEMBL3401	O75469	Pregnane X receptor	82.29%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.10%	94.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.72%	97.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587687
• LOTUS: LTS0074605
• wikiData: Q77571959