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Arcyriaflavin A; 2,3-Dihydroxy

AlkaPlorer ID: AK062737

Synonym: 2,3-Dihydroxyarcyriaflavin A

IUPAC Name: 6,7-dihydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

Structure

SMILES: O=C1N=C(O)C2=C3C4=CC=CC=C4NC3=C3NC4=C(C=C(O)C(O)=C4)C3=C12

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InChI: InChI=1S/C20H11N3O4/c24-11-5-8-10(6-12(11)25)22-18-14(8)16-15(19(26)23-20(16)27)13-7-3-1-2-4-9(7)21-17(13)18/h1-6,21-22,24-25H,(H,23,26,27)

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InChIKey: BJIPXXAEQIWODL-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 357.3250000000001

TPSA？: 121.7

MolLogP？: 3.8252000000000015

Number of H-Donors: 5

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens cAMP-dependent protein kinase (PKA) Inhibition 50.0 % 10.1016/j.bmcl.2005.03.103
Homo sapiens Epidermal growth factor receptor erbB1 Inhibition 50.0 % 10.1016/j.bmcl.2005.03.103
Homo sapiens HeLa IC50 2.1 ug.mL-1 10.1016/j.bmcl.2005.03.103
Homo sapiens Jurkat IC50 0.84 ug.mL-1 10.1016/j.bmcl.2005.03.103
Homo sapiens KB 3-1 IC50 25.0 ug.mL-1 10.1016/j.bmcl.2005.03.103
Homo sapiens Protein kinase C (PKC) Inhibition 50.0 % 10.1016/j.bmcl.2005.03.103
Homo sapiens Protein kinase C (PKC) Inhibition 80.0 % 10.1016/j.bmcl.2005.03.103
Homo sapiens Serine/threonine-protein kinase EEF2K Inhibition 50.0 % 10.1016/j.bmcl.2005.03.103
Homo sapiens Tyrosine-protein kinase SRC Inhibition 50.0 % 10.1016/j.bmcl.2005.03.103
Homo sapiens Tyrosine-protein kinase SRC Inhibition 80.0 % 10.1016/j.bmcl.2005.03.103
Homo sapiens Vascular endothelial growth factor receptor 1 Inhibition 50.0 % 10.1016/j.bmcl.2005.03.103
Homo sapiens Zinc finger protein GLI1 IC50 1800.0 nM 10.1021/jm801420y
Homo sapiens Zinc finger protein GLI2 IC50 2700.0 nM 10.1021/jm801420y

Metabolism Information