4-(4-hydroxy-3,5-dimethoxyphenyl)-15-methoxy-13-{[2-methyl-5-(3-methylbutyl)-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: AK191313
Synonym: None
IUPAC Name: (3S,4R,11R)-13-[[(2S,4aS,5S,8aS)-2-methyl-5-(3-methylbutyl)-2,3,4,4a,5,6,7,8-octahydro-1H-quinolin-8a-yl]oxy]-4-(4-hydroxy-3,5-dimethoxyphenyl)-15-methoxy-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([C@@H]2COC3=CC4=C5C(=C3[C@H]2O)CCC2=C(OC)C=C(O[C@@]36CCC[C@@H](CCC(C)C)[C@@H]3CC[C@H](C)N6)C(=C25)[C@@H](O)N4)=CC(OC)=C1O
InChI: InChI=1S/C42H54N2O8/c1-21(2)9-11-23-8-7-15-42(28(23)14-10-22(3)44-42)52-32-19-30(48-4)25-12-13-26-35-29(43-41(47)38(32)37(25)35)18-31-36(26)39(45)27(20-51-31)24-16-33(49-5)40(46)34(17-24)50-6/h16-19,21-23,27-28,39,41,43-47H,7-15,20H2,1-6H3/t22-,23-,27-,28-,39-,41+,42-/m0/s1
InChIKey: WYWWZBILHKBGHY-JPPKDANUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 714.9000000000003
TPSA？: 130.9
MolLogP？: 7.509100000000009
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|