Arcyroxocin A; 2-Hydroxy

AlkaPlorer ID: AK051003

Synonym: Arcyroxocin B

IUPAC Name: 3,11-dihydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.02,6.07,15.08,13.021,24]tetracosa-1(23),2,6,8(13),9,11,14,17,19,21(24)-decaen-5-one

Structure

SMILES: O=C1N=C(O)C2=C1C1=C(NC3=CC(O)=CC=C13)OC1=CC=CC3=C1C2=CN3

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

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InChIKey: BITKUAAEISLUCU-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 357.32500000000005

TPSA: 110.7

MolLogP: 3.868

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Jurkat IC50 7.0 ug.mL-1 10.1021/np060269h

Metabolism Information