Penifulvin D

Details

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Internal ID 0317058f-647f-43c5-816b-d30f79cc29f8
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
IUPAC Name (1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O5/c1-12(2)7-13(3)6-9(16)19-11-15(13)8(12)4-5-14(15,18)10(17)20-11/h8,11,18H,4-7H2,1-3H3/t8-,11-,13-,14+,15+/m0/s1
InChI Key HIORDXLXXKCJQD-WDYLMEIXSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O5
Molecular Weight 280.32 g/mol
Exact Mass 280.13107373 g/mol
Topological Polar Surface Area (TPSA) 72.80 Ų
XlogP 1.90

Synonyms

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(1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
(1S,4S,8R,11S,14R)-1-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo(6.5.1.04,14.011,14)tetradecane-2,6-dione
RefChem:171099
919092-98-1
CHEBI:201672

2D Structure

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2D Structure of Penifulvin 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
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.76% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.86% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 89.15% 83.82%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.88% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.63% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.84% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 82.59% 94.75%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 81.70% 96.77%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.91% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.65% 89.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.39% 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 11994452
LOTUS LTS0082488
wikiData Q77310477