(1R)-1-{[3-(4-{[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-4-hydroxyphenyl]methyl}-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
AlkaPlorer ID: AK155614
Synonym: None
IUPAC Name: (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SMILES: COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4NCCC5=CC(OC)=C(OC)C=C54)C=C3)=C1)N(C)CC2
InChI: InChI=1S/C36H40N2O6/c1-38-14-12-25-18-33(41-2)32(40)20-28(25)30(38)16-23-7-10-31(39)34(17-23)44-26-8-5-22(6-9-26)15-29-27-21-36(43-4)35(42-3)19-24(27)11-13-37-29/h5-10,17-21,29-30,37,39-40H,11-16H2,1-4H3/t29-,30-/m1/s1
InChIKey: AIFMEJGBSFZMJP-LOYHVIPDSA-N
Reference
Protease Inhibitors from a Water Bloom of the Cyanobacterium <i>Microcystis aeruginosa</i>
PubChem CID: 184189
CAS: 110300-71-5
SuperNatural Ⅲ: SN0006344-01
NPASS: NPC54205
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gentiana olgae | Gentiana | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 596.7240000000002
TPSA？: 92.65
MolLogP？: 6.117100000000008
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|