Murayaanthraquinone

AlkaPlorer ID: AK307047

Synonym: None

IUPAC Name: 21,25-dihydroxy-11-methyl-13,16,23-trioxo-10-oxa-3-azahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(26),2,4(9),5,7,14,17(22),18,20,24-decaene-6-carboxamide

Structure

SMILES: CC12CC(=O)C3=C(C=C(O)C4=C3C(=O)C3=CC=CC(O)=C3C4=O)C1=NC1=CC(C(=N)O)=CC=C1O2

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InChI: InChI=1S/C26H16N2O7/c1-26-9-16(31)18-12(24(26)28-13-7-10(25(27)34)5-6-17(13)35-26)8-15(30)20-21(18)22(32)11-3-2-4-14(29)19(11)23(20)33/h2-8,29-30H,9H2,1H3,(H2,27,34)

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InChIKey: RWSOSPPPYKHFRJ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 468.4210000000002

TPSA: 157.33999999999995

MolLogP: 3.6148700000000016

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information