Flavidulol D

Details

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Internal ID b9d617b9-3b3e-4704-aaca-9d31a1d6d138
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name [(6Z,10Z)-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-yl] octadecanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C35H56O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35(36)38-34-27-26-33(37-4)31-25-24-29(2)21-20-22-30(3)28-32(31)34/h22,24,26-27H,5-21,23,25,28H2,1-4H3/b29-24-,30-22-
InChI Key KEQNDOBNCIQHAL-QFMQDTALSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C35H56O3
Molecular Weight 524.80 g/mol
Exact Mass 524.42294564 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 12.30

Synonyms

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CHEBI:171915
[(6Z,10Z)-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-yl] octadecanoate

2D Structure

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2D Structure of Flavidulol D

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.46% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.56% 99.17%
CHEMBL2581 P07339 Cathepsin D 94.59% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.75% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.60% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.15% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.35% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.08% 86.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.86% 90.71%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.46% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.84% 96.00%
CHEMBL2535 P11166 Glucose transporter 83.83% 98.75%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.95% 93.56%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.80% 89.62%

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 131752918
LOTUS LTS0059826
wikiData Q105140143