5-(4-hydroxy-7-{4-hydroxy-3-[6-(methylamino)-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]phenyl}-octahydro-2H-1-benzopyran-2-yl)-3-methoxy-4-[(1H-pyrrol-3-yl)methyl]benzene-1,2-diol
AlkaPlorer ID: AK593906
Synonym: None
IUPAC Name: 5-[4-hydroxy-7-[4-hydroxy-3-[6-(methylamino)-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-3-methoxy-4-(1H-pyrrol-3-ylmethyl)benzene-1,2-diol
Structure
SMILES: CNC1CCC2C(CC=CC2C2=CC(C3CCC4C(O)CC(C5=CC(O)=C(O)C(OC)=C5CC5=CNC=C5)OC4C3)=CC=C2O)C1
InChI: InChI=1S/C38H48N2O6/c1-39-25-8-10-26-24(15-25)4-3-5-27(26)29-16-22(7-11-32(29)41)23-6-9-28-33(42)19-36(46-35(28)17-23)30-18-34(43)37(44)38(45-2)31(30)14-21-12-13-40-20-21/h3,5,7,11-13,16,18,20,23-28,33,35-36,39-44H,4,6,8-10,14-15,17,19H2,1-2H3
InChIKey: ZNQUEUAECKELAK-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 628.8100000000003
TPSA？: 127.20000000000002
MolLogP？: 6.553500000000009
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 7
Activities Information
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