Curtisin

AlkaPlorer ID: AK118207

Synonym: None

IUPAC Name: 8-hydroxy-4-[(S)-methylsulfinyl]-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione

Structure

SMILES: C[S@](=O)C1=CC(=O)N2C3=CC(=O)C=CC3=C3C(O)=CNC1=C32

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InChI: InChI=1S/C15H10N2O4S/c1-22(21)11-5-12(20)17-9-4-7(18)2-3-8(9)13-10(19)6-16-14(11)15(13)17/h2-6,16,19H,1H3/t22-/m0/s1

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InChIKey: BMCHUDIIQTZIEO-QFIPXVFZSA-N

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Source

Properties Information

Molecule Weight: 314.322

TPSA: 91.64

MolLogP: 1.1749999999999996

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information