(6,7,15-Triacetyloxy-5,5,9-trimethyl-14-methylidene-3-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate

Details

• Internal ID: a329a2c6-f7b3-4458-9f21-30cbad74732b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids
• IUPAC Name: (6,7,15-triacetyloxy-5,5,9-trimethyl-14-methylidene-3-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
• InChI: InChI=1S/C28H38O9/c1-13-18-9-20(34-14(2)29)23-27(8)12-21(35-15(3)30)25(37-17(5)32)26(6,7)22(27)19(33)11-28(23,10-18)24(13)36-16(4)31/h18,20-25H,1,9-12H2,2-8H3
• InChI Key: CSSFHCNGJKKNKZ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₃₈O₉
• Molecular Weight: 518.60 g/mol
• Exact Mass: 518.25158279 g/mol
• Topological Polar Surface Area (TPSA): 122.00 Ų
• XlogP: 2.40

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.41%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.86%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.78%	91.11%
CHEMBL340	P08684	Cytochrome P450 3A4	90.25%	91.19%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	87.65%	96.77%
CHEMBL2581	P07339	Cathepsin D	85.83%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.68%	97.09%
CHEMBL2996	Q05655	Protein kinase C delta	83.76%	97.79%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	83.61%	82.69%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.47%	97.25%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.43%	97.14%

Plants that contains it

• Isodon lungshengensis

Cross-Links

• PubChem: 73657266
• LOTUS: LTS0098106
• wikiData: Q104969529