Fatsicarpain G

Details

• Internal ID: 0e2db2c6-93c4-4c5b-b482-c8d7a87dd314
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: (1S,4S,5R,8R,9R,10R,13S,14R,17S,18R)-10-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
• SMILES (Canonical): CC1(CCC23CCC4(C5(CCC6C(C5C=CC4(C2C1)OC3=O)(CCC(C6(C)CO)O)C)C)C)C
• SMILES (Isomeric): C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=C[C@@]45[C@]3(CC[C@@]6([C@H]4CC(CC6)(C)C)C(=O)O5)C)C)(C)CO)O
• InChI: InChI=1S/C30H46O4/c1-24(2)13-15-29-16-14-28(6)27(5)11-7-19-25(3,10-9-22(32)26(19,4)18-31)20(27)8-12-30(28,21(29)17-24)34-23(29)33/h8,12,19-22,31-32H,7,9-11,13-18H2,1-6H3/t19-,20-,21-,22-,25+,26+,27-,28+,29+,30+/m1/s1
• InChI Key: CEBUWXCYJVYZSN-XEMCBIIJSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.70 g/mol
• Exact Mass: 470.33960994 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 6.40

Synonyms

• CHEBI:69222
• CHEMBL1823030
• DTXSID401166988
• Q27137561
• rel-(3alpha)-3,23-Dihydroxy-13,28-epoxyolean-11-en-28-one
• Olean-11-en-28-oic acid, 3,13,23-trihydroxy-, gamma-lactone, (3alpha,4alpha)-
• 1318005-71-8

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	91.70%	91.11%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	90.91%	82.69%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.18%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.83%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.72%	100.00%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	89.14%	96.38%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.51%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.30%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.50%	89.00%
CHEMBL2581	P07339	Cathepsin D	86.61%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.93%	95.56%
CHEMBL1871	P10275	Androgen Receptor	83.96%	96.43%
CHEMBL226	P30542	Adenosine A1 receptor	83.16%	95.93%
CHEMBL221	P23219	Cyclooxygenase-1	83.09%	90.17%
CHEMBL332	P03956	Matrix metalloproteinase-1	82.53%	94.50%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.09%	97.25%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.64%	92.62%

Plants that contains it

• Fatsia polycarpa

Cross-Links

• PubChem: 53493585
• LOTUS: LTS0185352
• wikiData: Q27137561