Ganoboninone F

Details

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Internal ID 9f4cffec-a2f4-4199-9bca-7eb8bab2d414
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 3-[(1S,5S,6S,8S,10R,13S,14S)-8-acetyloxy-5,10,14-trimethyl-3-oxo-14-(3-oxopentyl)-6-prop-1-en-2-yl-15-oxatetracyclo[8.6.0.01,13.04,9]hexadec-4(9)-en-5-yl]propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C31H44O7/c1-8-20(33)9-14-30(7)24-10-13-29(6)27-23(38-19(4)32)15-21(18(2)3)28(5,12-11-25(35)36)26(27)22(34)16-31(24,29)17-37-30/h21,23-24H,2,8-17H2,1,3-7H3,(H,35,36)/t21-,23-,24+,28-,29-,30-,31-/m0/s1
InChI Key DCXSLOVKLLXMQB-KZSFNMNISA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C31H44O7
Molecular Weight 528.70 g/mol
Exact Mass 528.30870374 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Ganoboninone 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 98.17% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.91% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.57% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.42% 97.25%
CHEMBL340 P08684 Cytochrome P450 3A4 90.08% 91.19%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.47% 97.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.69% 94.62%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.41% 96.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.30% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 85.89% 96.77%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.52% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.42% 89.00%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 82.64% 93.04%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 82.45% 93.00%
CHEMBL237 P41145 Kappa opioid receptor 82.43% 98.10%
CHEMBL5255 O00206 Toll-like receptor 4 80.88% 92.50%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.73% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.58% 86.33%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.51% 82.69%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.30% 94.33%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.29% 100.00%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 80.09% 96.38%

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.
There are no matching plants.

Cross-Links

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PubChem 139588209
LOTUS LTS0131667
wikiData Q104976055