Chandrananimycin A

Details

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Internal ID 0f5dc45f-e36e-4c94-a2f8-9baa946d02a9
Taxonomy Organoheterocyclic compounds > Benzoxazines > Phenoxazines
IUPAC Name N-(9-hydroxy-3-oxophenoxazin-2-yl)acetamide
SMILES (Canonical) CC(=O)NC1=CC2=NC3=C(C=CC=C3OC2=CC1=O)O
SMILES (Isomeric) CC(=O)NC1=CC2=NC3=C(C=CC=C3OC2=CC1=O)O
InChI InChI=1S/C14H10N2O4/c1-7(17)15-8-5-9-13(6-11(8)19)20-12-4-2-3-10(18)14(12)16-9/h2-6,18H,1H3,(H,15,17)
InChI Key VRKDUDPRCAZBHW-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H10N2O4
Molecular Weight 270.24 g/mol
Exact Mass 270.06405680 g/mol
Topological Polar Surface Area (TPSA) 88.00 Ų
XlogP 0.50

Synonyms

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CHEMBL2322651
N-(9-hydroxy-3-oxophenoxazin-2-yl)acetamide

2D Structure

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2D Structure of Chandrananimycin A

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
CHEMBL3401 O75469 Pregnane X receptor 97.64% 94.73%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.41% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 96.23% 99.23%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 95.67% 81.11%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.40% 91.11%
CHEMBL2581 P07339 Cathepsin D 92.57% 98.95%
CHEMBL3959 P16083 Quinone reductase 2 92.17% 89.49%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 90.91% 87.67%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.88% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.51% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.17% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.21% 86.33%
CHEMBL4040 P28482 MAP kinase ERK2 89.18% 83.82%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.22% 99.15%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 86.80% 85.30%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.28% 90.71%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.08% 93.65%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.36% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 9993261
LOTUS LTS0047610
wikiData Q104199725