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Hamigeran F

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 8b349acb-8c81-466f-a0b7-b3e9c30aaa91
Taxonomy Benzenoids > Tetralins
IUPAC Name [(1S,2R,9S,10R,12R)-6-bromo-7,9-dihydroxy-5,12,15,15-tetramethyl-11-oxo-10-tetracyclo[7.5.1.02,12.03,8]pentadeca-3(8),4,6-trienyl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H25BrO5/c1-9-8-11-13-12-6-7-20(13,5)17(25)18(27-10(2)23)21(26,19(12,3)4)14(11)16(24)15(9)22/h8,12-13,18,24,26H,6-7H2,1-5H3/t12-,13-,18-,20+,21-/m0/s1
InChI Key VFLWFNVWOYAEPD-ATZVMRRNSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C21H25BrO5
Molecular Weight 437.30 g/mol
Exact Mass 436.08854 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 3.40

Synonyms

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[(1S,2R,9S,10R,12R)-6-bromo-7,9-dihydroxy-5,12,15,15-tetramethyl-11-oxo-10-tetracyclo[7.5.1.02,12.03,8]pentadeca-3(8),4,6-trienyl] acetate
((1S,2R,9R,10R,12R)-6-bromo-7,9-dihydroxy-5,12,15,15-tetramethyl-11-oxo-10-tetracyclo(7.5.1.02,12.03,8)pentadeca-3(8),4,6-trienyl) acetate
((1S,2R,9S,10R,12R)-6-bromo-7,9-dihydroxy-5,12,15,15-tetramethyl-11-oxo-10-tetracyclo(7.5.1.02,12.03,8)pentadeca-3(8),4,6-trienyl) acetate
[(1S,2R,9R,10R,12R)-6-bromo-7,9-dihydroxy-5,12,15,15-tetramethyl-11-oxo-10-tetracyclo[7.5.1.02,12.03,8]pentadeca-3(8),4,6-trienyl] acetate
RefChem:145157
CHEBI:225230

2D Structure

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2D Structure of Hamigeran F

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 98.28% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.17% 94.45%
CHEMBL2581 P07339 Cathepsin D 94.24% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.39% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.19% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.22% 89.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.21% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.58% 86.33%
CHEMBL340 P08684 Cytochrome P450 3A4 86.87% 91.19%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.27% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.68% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.85% 99.23%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 84.27% 93.00%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 83.56% 91.24%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.72% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.70% 99.15%
CHEMBL1937 Q92769 Histone deacetylase 2 82.57% 94.75%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 82.54% 96.38%
CHEMBL2563 Q9UQL6 Histone deacetylase 5 82.08% 89.67%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 81.54% 90.24%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.46% 91.07%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.20% 93.40%

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 72722502
LOTUS LTS0185027
wikiData Q77624937