Ganodermalactone A

Details

• Internal ID: 2d4119c8-b071-4415-bbe2-e3cfe51c5dfd
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: (2S)-5-methyl-2-[(1S)-1-[(8R,12R,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),2,4-trienyl]ethyl]-2,3-dihydropyran-6-one
• SMILES (Canonical): CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC4=C3CCC5C(=C4)C=CC(=O)C5(C)C)C)C
• SMILES (Isomeric): CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CCC4=C3CC[C@@H]5C(=C4)C=CC(=O)C5(C)C)C)C
• InChI: InChI=1S/C30H40O3/c1-18-7-11-25(33-27(18)32)19(2)22-14-16-30(6)24-10-9-23-20(8-12-26(31)28(23,3)4)17-21(24)13-15-29(22,30)5/h7-8,12,17,19,22-23,25H,9-11,13-16H2,1-6H3/t19-,22+,23+,25-,29+,30-/m0/s1
• InChI Key: IDZRCTSIODKGSC-WJDWYOEMSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₄₀O₃
• Molecular Weight: 448.60 g/mol
• Exact Mass: 448.29774513 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 6.70

Synonyms

There are no found synonyms.

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.03%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.71%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.45%	95.56%
CHEMBL2581	P07339	Cathepsin D	94.09%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	93.26%	94.75%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	89.17%	97.14%
CHEMBL221	P23219	Cyclooxygenase-1	88.78%	90.17%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.38%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.18%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.13%	99.23%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	85.14%	85.94%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	83.20%	85.11%
CHEMBL5103	Q969S8	Histone deacetylase 10	82.67%	90.08%
CHEMBL1871	P10275	Androgen Receptor	82.53%	96.43%
CHEMBL3038469	P24941	CDK2/Cyclin A	82.31%	91.38%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.14%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.06%	89.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.85%	93.99%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	80.36%	93.03%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	80.20%	93.04%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139585490
• LOTUS: LTS0128154
• wikiData: Q77423812