methyl 14-{[17-ethyl-14-hydroxy-7-methoxy-1-(methoxycarbonyl)-3,13-diazapentacyclo[13.3.1.0²,¹?.0?,?.0¹³,¹?]nonadeca-2(10),4,6,8-tetraen-3-yl]methyl}-12-(2-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.0¹,?.0²,?.0¹?,¹?]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
AlkaPlorer ID: AK490459
Synonym: None
IUPAC Name: methyl 17-ethyl-14-hydroxy-3-[[12-(2-hydroxyethyl)-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaen-14-yl]methyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: CCC1CC2CC3(C(=O)OC)C4=C(CCN(C2O)C13)C1=CC(OC)=CC=C1N4CC1=CC2(CCO)CC(C(=O)OC)=C3NC4=CC=CC=C4C34CCN(C1)C24
InChI: InChI=1S/C44H52N4O7/c1-5-26-18-27-21-44(41(52)55-4)36(26)47(38(27)50)15-12-29-30-19-28(53-2)10-11-34(30)48(37(29)44)24-25-20-42(14-17-49)22-31(39(51)54-3)35-43(13-16-46(23-25)40(42)43)32-8-6-7-9-33(32)45-35/h6-11,19-20,26-27,36,38,40,45,49-50H,5,12-18,21-24H2,1-4H3
InChIKey: PLQSKXBNHSCZCK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana sphaerocarpa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 748.9209999999999
TPSA？: 125.73
MolLogP？: 4.633000000000004
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|