4-[4-hydroxy-3-(3-hydroxypropoxy)-5-methoxyphenyl]-15-methoxy-13-[(2-methyl-decahydroquinolin-8a-yl)oxy]-6-oxa-10-azapentacyclo[10.6.2.0²,?.0?,¹?.0¹?,²?]icosa-1,7,9(19),12(20),13,15-hexaene-3,11-diol
AlkaPlorer ID: AK534580
Synonym: None
IUPAC Name: 4-[4-hydroxy-3-(3-hydroxypropoxy)-5-methoxyphenyl]-15-methoxy-13-[(2-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-quinolin-8a-yl)oxy]-6-oxa-10-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),8,12,14,16(20)-hexaene-3,11-diol
Structure
SMILES: COC1=CC(C2COC3=CC4=C5C(=C3C2O)CCC2=C(OC)C=C(OC36CCCCC3CCC(C)N6)C(=C25)C(O)N4)=CC(OCCCO)=C1O
InChI: InChI=1S/C39H48N2O9/c1-20-8-9-22-7-4-5-12-39(22,41-20)50-29-18-27(46-2)23-10-11-24-32-26(40-38(45)35(29)34(23)32)17-28-33(24)36(43)25(19-49-28)21-15-30(47-3)37(44)31(16-21)48-14-6-13-42/h15-18,20,22,25,36,38,40-45H,4-14,19H2,1-3H3
InChIKey: UEMWGBAMCPCZBU-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 688.8180000000003
TPSA？: 151.13
MolLogP？: 5.599400000000007
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 8
Activities Information
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