Phlebiachrysoic acid B

Details

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Internal ID 7ef6de22-3ecf-4747-8405-8673b49de174
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name (E)-15-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadec-2-enoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H32O6/c1-28-19-16-18(23)21(26)17(22(19)27)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20(24)25/h13,15-16,26H,2-12,14H2,1H3,(H,24,25)/b15-13+
InChI Key GQNTVUVSGBPBOS-FYWRMAATSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C22H32O6
Molecular Weight 392.50 g/mol
Exact Mass 392.21988874 g/mol
Topological Polar Surface Area (TPSA) 101.00 Ų
XlogP 6.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Phlebiachrysoic acid B

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 96.48% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.42% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.55% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.93% 95.56%
CHEMBL2581 P07339 Cathepsin D 90.29% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.47% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.58% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.97% 94.33%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 81.90% 92.68%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.62% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.40% 94.45%

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 10249943
LOTUS LTS0129362
wikiData Q77496715