(-)-ganotheaecolumol G

Details

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Internal ID 9c743ce4-fab7-4521-89e9-8d0a4a050f93
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
IUPAC Name (2E,6E)-9-[(5S)-5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H26O7/c1-14(6-4-8-15(2)20(25)26)7-5-9-16-13-22(28-3,29-21(16)27)18-12-17(23)10-11-19(18)24/h7-8,10-13,23-24H,4-6,9H2,1-3H3,(H,25,26)/b14-7+,15-8+/t22-/m0/s1
InChI Key DQHIGCCLMVVSPZ-RPOLMSGVSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H26O7
Molecular Weight 402.40 g/mol
Exact Mass 402.16785316 g/mol
Topological Polar Surface Area (TPSA) 113.00 Ų
XlogP 3.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (-)-ganotheaecolumol 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.69% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.00% 86.33%
CHEMBL2581 P07339 Cathepsin D 94.61% 98.95%
CHEMBL4208 P20618 Proteasome component C5 92.04% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.40% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 90.64% 94.73%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.99% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.21% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.92% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.89% 94.45%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.67% 94.62%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 83.58% 80.00%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 82.51% 82.38%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 81.17% 92.08%

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 139590270
LOTUS LTS0069700
wikiData Q105104253