9-deoxycurtisin

AlkaPlorer ID: AK120557

Synonym: None

IUPAC Name: 8-hydroxy-4-[(S)-methylsulfinyl]-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

Structure

SMILES: C[S@](=O)C1=CC(=O)N2C3=CC=CC=C3C3=C(O)C=NC1=C32

copy

InChI: InChI=1S/C15H10N2O3S/c1-21(20)11-6-12(19)17-9-5-3-2-4-8(9)13-10(18)7-16-14(11)15(13)17/h2-7,18H,1H3/t21-/m0/s1

copy

InChIKey: RQUKDHNYGQIAOZ-NRFANRHFSA-N

copy

Source

Properties Information

Molecule Weight: 298.32300000000004

TPSA: 71.67

MolLogP: 1.8817

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information