8,13-Dihydroxy-2,6,6-trimethyl-12-propan-2-yl-15-oxatetracyclo[8.4.1.01,10.02,7]pentadeca-7,12-diene-9,11,14-trione

Details

• Internal ID: a9bfc2df-8df2-4b49-bfc7-dd135ee357d2
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: 8,13-dihydroxy-2,6,6-trimethyl-12-propan-2-yl-15-oxatetracyclo[8.4.1.01,10.02,7]pentadeca-7,12-diene-9,11,14-trione
• InChI: InChI=1S/C20H24O6/c1-9(2)10-11(21)16(25)20-18(5)8-6-7-17(3,4)13(18)12(22)15(24)19(20,26-20)14(10)23/h9,21-22H,6-8H2,1-5H3
• InChI Key: AEXKDWVVGVHVQM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄O₆
• Molecular Weight: 360.40 g/mol
• Exact Mass: 360.15728848 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.90

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	99.05%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.03%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.28%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	86.26%	94.75%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.25%	97.25%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.06%	99.15%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	83.64%	96.77%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.54%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.04%	90.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.09%	96.09%

Plants that contains it

• Coleus sanguineus

Cross-Links

• PubChem: 73810690
• LOTUS: LTS0136021
• wikiData: Q104910747