Diacarperoxide G

Details

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Internal ID d3951888-273b-4e38-a7d9-dc72e827205d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name methyl (2R)-2-[(3R,6R)-6-[2-[(4aR,8aR)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-6-methyldioxan-3-yl]propanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H40O5/c1-16-18(25(6)12-8-11-23(3,4)21(25)15-19(16)26)9-13-24(5)14-10-20(29-30-24)17(2)22(27)28-7/h17,20-21H,8-15H2,1-7H3/t17-,20-,21-,24-,25+/m1/s1
InChI Key PDWDODCLXVJGRQ-ANEHDTCOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C25H40O5
Molecular Weight 420.60 g/mol
Exact Mass 420.28757437 g/mol
Topological Polar Surface Area (TPSA) 61.80 Ų
XlogP 5.40

Synonyms

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CHEMBL500673

2D Structure

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2D Structure of Diacarperoxide G

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.11% 94.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.67% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.86% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.34% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.20% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.01% 97.09%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 86.64% 96.77%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.07% 90.71%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.50% 91.07%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.26% 95.56%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 85.18% 94.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.62% 92.62%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.24% 99.23%
CHEMBL5028 O14672 ADAM10 82.80% 97.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.58% 95.89%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.92% 94.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.91% 82.69%
CHEMBL3430907 Q96GD4 Aurora kinase B/Inner centromere protein 80.30% 97.50%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.03% 93.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 25018210
LOTUS LTS0099045
wikiData Q105206795