Trimethyl 4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylate

Details

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Internal ID 0e215296-2715-4153-8e4f-01a20dfdfe4f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C20-gibberellins
IUPAC Name trimethyl 4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H32O6/c1-13-11-22-12-14(13)7-8-15(22)23(20(26)29-5)10-6-9-21(2,19(25)28-4)17(23)16(22)18(24)27-3/h14-17H,1,6-12H2,2-5H3
InChI Key CVVOOYMCPNGYQG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H32O6
Molecular Weight 404.50 g/mol
Exact Mass 404.21988874 g/mol
Topological Polar Surface Area (TPSA) 78.90 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Trimethyl 4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylate

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.60% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.50% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.91% 91.11%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 91.64% 96.38%
CHEMBL4072 P07858 Cathepsin B 90.16% 93.67%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.72% 94.45%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 88.57% 95.50%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 85.90% 82.69%
CHEMBL340 P08684 Cytochrome P450 3A4 85.76% 91.19%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.54% 95.89%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.83% 100.00%
CHEMBL3430907 Q96GD4 Aurora kinase B/Inner centromere protein 83.66% 97.50%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 82.88% 96.77%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.80% 92.62%
CHEMBL2581 P07339 Cathepsin D 82.70% 98.95%
CHEMBL5255 O00206 Toll-like receptor 4 81.00% 92.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.42% 94.33%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 529670
LOTUS LTS0207094
wikiData Q104971037