Biatriosporin H

Details

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Internal ID 264309ac-c617-4cd3-99c3-ca976054d0b7
Taxonomy Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
IUPAC Name (3S,4aS,10R,10aR)-9,10-dihydroxy-3,7-dimethoxy-3-methyl-4,4a,10,10a-tetrahydro-1H-benzo[g]isochromen-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H20O6/c1-16(21-3)6-10-11(7-22-16)15(19)13-9(14(10)18)4-8(20-2)5-12(13)17/h4-5,10-11,15,17,19H,6-7H2,1-3H3/t10-,11-,15+,16-/m0/s1
InChI Key JSVRKOTVDFJIKS-QMMBQJITSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H20O6
Molecular Weight 308.33 g/mol
Exact Mass 308.12598835 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 0.60

Synonyms

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CHEMBL3894713

2D Structure

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2D Structure of Biatriosporin H

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 98.64% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.44% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.16% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.24% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.48% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.19% 94.00%
CHEMBL2581 P07339 Cathepsin D 89.89% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.24% 89.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.34% 92.94%
CHEMBL340 P08684 Cytochrome P450 3A4 86.78% 91.19%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.30% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 86.13% 96.77%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.47% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.58% 92.62%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 83.28% 91.07%
CHEMBL1951 P21397 Monoamine oxidase A 82.17% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.87% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.72% 99.23%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.29% 97.14%

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 132523665
LOTUS LTS0206236
wikiData Q105134607