Norrubrofusarin

Details

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Internal ID fd53397a-fd1f-4504-9be6-e17cc5df9f35
Taxonomy Organoheterocyclic compounds > Naphthopyrans
IUPAC Name 4,5,6-trihydroxy-2-methylbenzo[g]chromen-8-one
SMILES (Canonical) CC1=CC(=C2C(=CC3=CC(=O)C=C(C3=C2O)O)O1)O
SMILES (Isomeric) CC1=CC(=C2C(=CC3=CC(=O)C=C(C3=C2O)O)O1)O
InChI InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,16-18H,1H3
InChI Key ZJCMSTGEFBOMJO-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C14H10O5
Molecular Weight 258.23 g/mol
Exact Mass 258.05282342 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 0.40

Synonyms

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Nor-rubrofusarin
5,6,8-trihydroxy-2-methylbenzo[g]chromen-4-one
3566-98-1
5,6,8-trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one
5,6,8-TRIHYDROXY-2-METHYL-4H-BENZO[G]CHROMEN-4-ONE
SCHEMBL1673012
CHEBI:81264
CHEBI:168361
DTXSID701209153
HY-N11541
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Norrubrofusarin

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 97.34% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.94% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 91.50% 94.73%
CHEMBL2581 P07339 Cathepsin D 89.64% 98.95%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 89.57% 93.65%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.92% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.48% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.70% 89.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 85.29% 94.42%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.46% 86.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.67% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 80.27% 91.49%

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.
Fagaropsis glabra
Senna quinquangulata var. quinquangulata
Senna tora
Tetradium glabrifolium

Cross-Links

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PubChem 135453893
LOTUS LTS0191353
wikiData Q104403646