(+/-)-Forbesione

Details

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Internal ID e2595b0b-08c4-42bb-8f4b-bb6efeaa14d8
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 6,8-dihydroxy-17,17-dimethyl-5,15-bis(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
SMILES (Canonical) CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=CC4CC5C3(O2)C(C4=O)(OC5(C)C)CC=C(C)C)C
SMILES (Isomeric) CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=CC4CC5C3(O2)C(C4=O)(OC5(C)C)CC=C(C)C)C
InChI InChI=1S/C28H32O6/c1-14(2)7-8-17-19(29)13-20(30)22-23(31)18-11-16-12-21-26(5,6)34-27(25(16)32,10-9-15(3)4)28(18,21)33-24(17)22/h7,9,11,13,16,21,29-30H,8,10,12H2,1-6H3
InChI Key LWIGRTRTVVPXOZ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C28H32O6
Molecular Weight 464.50 g/mol
Exact Mass 464.21988874 g/mol
Topological Polar Surface Area (TPSA) 93.10 Ų
XlogP 5.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (+/-)-Forbesione

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 99.53% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.11% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.63% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 93.76% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.71% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.56% 85.14%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.99% 93.40%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.87% 97.09%
CHEMBL3038469 P24941 CDK2/Cyclin A 89.40% 91.38%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.25% 96.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.04% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.01% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 85.70% 95.93%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.87% 95.56%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 83.55% 96.90%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.46% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.34% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.22% 86.33%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 81.74% 86.92%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.55% 97.21%
CHEMBL284 P27487 Dipeptidyl peptidase IV 80.36% 95.69%

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.
Garcinia hanburyi

Cross-Links

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PubChem 21348144
LOTUS LTS0035736
wikiData Q105158322