Ganotheaecolumol I

Details

• Internal ID: 3b461369-a384-4791-b1f7-227567fc6fee
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (2Z,5E,9Z)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid
• InChI: InChI=1S/C21H26O6/c1-14(5-3-7-15(2)13-22)6-4-8-16(21(26)27)11-20(25)18-12-17(23)9-10-19(18)24/h6-7,9-12,22-24H,3-5,8,13H2,1-2H3,(H,26,27)/b14-6+,15-7-,16-11-
• InChI Key: NNMYUEIQQGJWFO-GPHFOOKYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₆O₆
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.17293854 g/mol
• Topological Polar Surface Area (TPSA): 115.00 Ų
• XlogP: 4.10

Synonyms

• Ganotheaecolumol I
• BDBM50591616

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	97.17%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.31%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.08%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.36%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	89.23%	92.08%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.84%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	87.37%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.84%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.57%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.26%	99.15%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590273
• LOTUS: LTS0081150
• wikiData: Q105182215