6-decyl-6H-chromeno[4,3-b]chromen-7-one

Details

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Internal ID 0ee0b5b4-9dae-4c06-a572-7bc0268e09df
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
IUPAC Name 6-decyl-6H-chromeno[4,3-b]chromen-7-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H30O3/c1-2-3-4-5-6-7-8-9-18-23-24-25(27)19-14-10-12-16-21(19)29-26(24)20-15-11-13-17-22(20)28-23/h10-17,23H,2-9,18H2,1H3
InChI Key MLVNNNMAQAKUMB-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C26H30O3
Molecular Weight 390.50 g/mol
Exact Mass 390.21949481 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 7.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-decyl-6H-chromeno[4,3-b]chromen-7-one

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
CHEMBL2581 P07339 Cathepsin D 98.06% 98.95%
CHEMBL230 P35354 Cyclooxygenase-2 94.64% 89.63%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.63% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.23% 95.56%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.49% 85.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.94% 99.23%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.25% 92.08%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.36% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 89.23% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.59% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 85.66% 93.31%
CHEMBL3004 P33527 Multidrug resistance-associated protein 1 85.32% 96.37%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 83.71% 91.81%
CHEMBL1951 P21397 Monoamine oxidase A 83.28% 91.49%
CHEMBL240 Q12809 HERG 82.72% 89.76%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 82.19% 80.78%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.74% 86.33%

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.
Conchocarpus heterophyllus

Cross-Links

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PubChem 162820272
LOTUS LTS0078735
wikiData Q105003723