Rubrolide F

Details

Top
Internal ID f97036d4-6362-483a-8a0e-775718f4c83f
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name (5Z)-4-(4-hydroxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
SMILES (Canonical) COC1=CC=C(C=C1)C=C2C(=CC(=O)O2)C3=CC=C(C=C3)O
SMILES (Isomeric) COC1=CC=C(C=C1)/C=C\2/C(=CC(=O)O2)C3=CC=C(C=C3)O
InChI InChI=1S/C18H14O4/c1-21-15-8-2-12(3-9-15)10-17-16(11-18(20)22-17)13-4-6-14(19)7-5-13/h2-11,19H,1H3/b17-10-
InChI Key CNUDKAZLLHGKCY-YVLHZVERSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C18H14O4
Molecular Weight 294.30 g/mol
Exact Mass 294.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 3.10

Synonyms

Top
(5Z)-4-(4-hydroxyphenyl)-5-((4-methoxyphenyl)methylidene)furan-2-one
(5Z)-4-(4-hydroxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
RefChem:180255
CHEMBL2152637

2D Structure

Top
2D Structure of Rubrolide F

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 97.49% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.85% 95.56%
CHEMBL2581 P07339 Cathepsin D 92.05% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.23% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.68% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.38% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.19% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.10% 99.23%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.68% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.16% 95.50%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 83.97% 83.57%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.78% 94.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 82.23% 96.12%
CHEMBL242 Q92731 Estrogen receptor beta 82.16% 98.35%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.53% 91.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.88% 96.00%

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 15071722
LOTUS LTS0123713
wikiData Q104966351