(4'R)-10'-hydroxy-11'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one

AlkaPlorer ID: AK090876

Synonym: None

IUPAC Name: (4R)-10-hydroxy-11-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one

Structure

SMILES: COC1=C(O)C=C2CCN[C@@H]3CC4(C=CC(=O)C=C4)C1=C23

copy

InChI: InChI=1S/C17H17NO3/c1-21-16-13(20)8-10-4-7-18-12-9-17(15(16)14(10)12)5-2-11(19)3-6-17/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3/t12-/m1/s1

copy

InChIKey: BYJAWHGHAOZTGW-GFCCVEGCSA-N

copy

Properties Information

Molecule Weight: 283.327

TPSA: 58.56

MolLogP: 1.9242

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014729 C[SAH].O=C1C=CC2(C=C1)C[C@H]1NCCc3cc(O)c(O)c2c31>>COc1c(O)cc2c3c1C1(C=CC(=O)C=C1)C[C@H]3NCC2 RXN-19234