CC1(C(C(C2=C3C(=C(C=C2O1)OC)C(=O)C4=CC5=CC=CC=C5N=C4N3C)O)O)C
Nombre: (5R,6R)-5,6-dihydroxy-11-methoxy-2,7,7-trimethyl-8-oxa-2,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-13-one
SMILES: CC1(C(C(C2=C3C(=C(C=C2O1)OC)C(=O)C4=CC5=CC=CC=C5N=C4N3C)O)O)C

Molecular Processing

Molecular formula
C23H22N2O5
Molecular weight
406.44
Exact mass
406.1529
XLogP
2.81
TPSA
93.81
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
114.22

Supplementary Information

InChIKey: ZJTLILRDXKTIJJ-NHCUHLMSSA-N
Sinónimos
SCHEMBL3294105CHEMBL3359207ZJTLILRDXKTIJJ-NHCUHLMSSA-N(+/-)-cis-1,2-dihydroxy-6-methoxy-3,3,14-trimethyl-1,2,3,14-tetrahydro-7h-benzo[b]chromeno[6,5-g][1,8]naphthyridin-7-one
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