(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-10-one

AlkaPlorer ID: AK093654

Synonym: None

IUPAC Name: (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-10-one

Structure

SMILES: OC1=N[C@@H]2CC3=CC=CC=C3C3=C4OCOC4=CC(=C32)C1

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InChI: InChI=1S/C17H13NO3/c19-14-7-10-6-13-17(21-8-20-13)16-11-4-2-1-3-9(11)5-12(18-14)15(10)16/h1-4,6,12H,5,7-8H2,(H,18,19)/t12-/m1/s1

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InChIKey: MSCYPDAELCIJKB-GFCCVEGCSA-N

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Properties Information

Molecule Weight: 279.295

TPSA: 51.05000000000001

MolLogP: 3.1921000000000017

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information