2-(acetyloxy)-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1H,2H,3H,4H,5H,6H,11H-benzo[b]carbazol-4-yl propanoate

AlkaPlorer ID: AK165790

Synonym: None

IUPAC Name: (2-acetyloxy-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl) propanoate

Structure

SMILES: CCC(=O)OC1C2=C(C3=C(C(=O)C4=C(O)C=CC=C4C3=O)N2C#N)C(O)C(OC(C)=O)C1(C)O

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InChI: InChI=1S/C23H20N2O9/c1-4-12(28)34-21-17-15(20(31)22(23(21,3)32)33-9(2)26)14-16(25(17)8-24)19(30)13-10(18(14)29)6-5-7-11(13)27/h5-7,20-22,27,31-32H,4H2,1-3H3

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InChIKey: SVEQKWXOEAIICG-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 468.4180000000002

TPSA: 176.14999999999998

MolLogP: 1.02228

Number of H-Donors: 3

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information