Norvisnagin

Details

Top
Internal ID 3333eb26-089c-4309-9ea0-da21cb5d042d
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones > Furanochromones
IUPAC Name 4-hydroxy-7-methylfuro[3,2-g]chromen-5-one
SMILES (Canonical) CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C=CO3
SMILES (Isomeric) CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C=CO3
InChI InChI=1S/C12H8O4/c1-6-4-8(13)11-10(16-6)5-9-7(12(11)14)2-3-15-9/h2-5,14H,1H3
InChI Key XNJXARQRJIOYLC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C12H8O4
Molecular Weight 216.19 g/mol
Exact Mass 216.04225873 g/mol
Topological Polar Surface Area (TPSA) 59.70 Ų
XlogP 2.50

Synonyms

Top
5-Norvisnagin
5H-Furo[3,2-g][1]benzopyran-5-one, 4-hydroxy-7-methyl-
4-hydroxy-7-methylfuro[3,2-g]chromen-5-one
SCHEMBL3614195
CHEBI:81362
4-Hydroxy-7-methyl-furo[3,2-g]chromen-5-one
C17843
4-Hydroxy-7-methyl-5H-furo[3,2-g]chromen-5-one
4-hydroxy-7-methylpyrano[3,2-f][1]benzoxol-5-one
4-Hydroxy-7-methyl-5H-furo[3,2-g]chromen-5-one #
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Norvisnagin

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
CHEMBL1951 P21397 Monoamine oxidase A 99.12% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.63% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.27% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 94.09% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.27% 95.56%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 92.67% 93.65%
CHEMBL2581 P07339 Cathepsin D 91.54% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.23% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.51% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.58% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.91% 99.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.48% 90.71%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 82.57% 94.42%

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.
Actaea cimicifuga

Cross-Links

Top
PubChem 612239
LOTUS LTS0213776
wikiData Q27155300