O-desmethylgreensporone C

Details

Top
Internal ID 187e2401-3286-4631-a716-943a59dc4451
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (4S,10E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
SMILES (Canonical) CC1CCCCCC=CC(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1
SMILES (Isomeric) C[C@H]1CCCCC/C=C/C(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1
InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h6,8,10-12,20-21H,2-5,7,9H2,1H3/b8-6+/t12-/m0/s1
InChI Key FCVMXXBIKQRBBD-WMADIVHISA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C18H22O5
Molecular Weight 318.40 g/mol
Exact Mass 318.14672380 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 4.10

Synonyms

Top
CHEMBL3334713

2D Structure

Top
2D Structure of O-desmethylgreensporone C

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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%
CHEMBL2581 P07339 Cathepsin D 95.71% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.55% 95.56%
CHEMBL4208 P20618 Proteasome component C5 91.32% 90.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 91.20% 96.21%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.77% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.33% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.92% 89.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.18% 92.94%
CHEMBL1929 P47989 Xanthine dehydrogenase 85.99% 96.12%
CHEMBL5203 P33316 dUTP pyrophosphatase 85.75% 99.18%
CHEMBL1951 P21397 Monoamine oxidase A 84.41% 91.49%
CHEMBL217 P14416 Dopamine D2 receptor 84.07% 95.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.57% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.42% 100.00%
CHEMBL3475 P05121 Plasminogen activator inhibitor-1 82.09% 83.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.96% 93.03%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.60% 86.33%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 81.39% 80.00%
CHEMBL5255 O00206 Toll-like receptor 4 81.01% 92.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.64% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.29% 91.07%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.27% 93.99%

Plants that contains it

Top
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

Top
PubChem 118713990
LOTUS LTS0053877
wikiData Q75063484