Citrusinine II   Click here for help

GtoPdb Ligand ID: 11377

Synonyms: Citrusinine-II | compound 5 [PMID: 21277783]
Comment: Citrusinine II is a natural compound found in the tropical plant Atalantia monophylla.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 91.92
Molecular weight 287.08
XLogP 3.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O
Isomeric SMILES COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O
InChI InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
InChI Key QEGXAAUCDUFHPJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
Synonyms Click here for help
Citrusinine-II | compound 5 [PMID: 21277783]
Database Links Click here for help
BindingDB Ligand 50336480
CAS Registry No. 86680-33-3 (source: PubChem)
ChEMBL Ligand CHEMBL465847
GtoPdb PubChem SID 440816746
PubChem CID 10016895
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