Guttiferone L

Details

• Internal ID: e3e20c99-188e-4e9d-b85a-8b7d31f77b7c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: (1R,5S,6S,7R)-3-[hydroxy-(2,4,5-trihydroxyphenyl)methylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
• SMILES (Canonical): CC(=CCCC1(C(CC2(C(=O)C(=C(C3=CC(=C(C=C3O)O)O)O)C(=O)C1(C2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)C)C
• SMILES (Isomeric): CC(=CCC[C@]1([C@@H](C[C@]2(C(=O)C(=C(C3=CC(=C(C=C3O)O)O)O)C(=O)[C@@]1(C2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)C)C
• InChI: InChI=1S/C38H50O7/c1-22(2)11-10-16-36(9)26(13-12-23(3)4)21-37(17-14-24(5)6)33(43)31(32(42)27-19-29(40)30(41)20-28(27)39)34(44)38(36,35(37)45)18-15-25(7)8/h11-12,14-15,19-20,26,39-42H,10,13,16-18,21H2,1-9H3/t26-,36+,37+,38-/m1/s1
• InChI Key: BSBNNDHXXJAOES-HYOCDBLYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₈H₅₀O₇
• Molecular Weight: 618.80 g/mol
• Exact Mass: 618.35565393 g/mol
• Topological Polar Surface Area (TPSA): 132.00 Ų
• XlogP: 10.00

Synonyms

• (-)-Guttiferone L

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
CHEMBL4040	P28482	MAP kinase ERK2	99.47%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.37%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	98.50%	94.45%
CHEMBL2581	P07339	Cathepsin D	94.69%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	94.12%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.05%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	90.38%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.73%	95.56%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.71%	93.40%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.36%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.73%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.62%	85.14%
CHEMBL1937	Q92769	Histone deacetylase 2	84.38%	94.75%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.46%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.28%	89.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.43%	95.50%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.09%	92.94%

Plants that contains it

• Garcinia calcicola

Cross-Links

• PubChem: 102080758
• LOTUS: LTS0094255
• wikiData: Q104945155