methyl 12'-[17-ethyl-6-methoxy-1-(methoxycarbonyl)-3,13-diazapentacyclo[13.3.1.0²,¹?.0?,?.0¹³,¹?]nonadeca-2(10),4,6,8-tetraen-5-yl]-3,20'-dimethyl-17'-oxa-10',20'-diazaspiro[oxirane-2,15'-pentacyclo[14.3.1.0³,¹¹.0?,?.0¹?,¹?]icosane]-3'(11'),4',6',8'-tetraene-19'-carboxylate
AlkaPlorer ID: AK322116
Synonym: None
IUPAC Name: methyl 12-(17-ethyl-6-methoxy-1-methoxycarbonyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-5-yl)-3',20-dimethylspiro[17-oxa-10,20-diazapentacyclo[14.3.1.03,11.04,9.014,19]icosa-3(11),4,6,8-tetraene-15,2'-oxirane]-19-carboxylate
Structure
SMILES: CCC1CC2CN3CCC4=C(NC5=C4C=CC(OC)=C5C4CC5C6(C(=O)OC)COC(N(C)C6CC6=C4NC4=CC=CC=C64)C54OC4C)C(C(=O)OC)(C2)C13
InChI: InChI=1S/C44H52N4O7/c1-7-24-16-23-19-42(40(49)52-5)37-27(14-15-48(20-23)38(24)42)26-12-13-31(51-4)34(36(26)46-37)29-17-32-43(41(50)53-6)21-54-39(44(32)22(2)55-44)47(3)33(43)18-28-25-10-8-9-11-30(25)45-35(28)29/h8-13,22-24,29,32-33,38-39,45-46H,7,14-21H2,1-6H3
InChIKey: KSUDRVNXZGXXLA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana divaricata | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 748.9210000000002
TPSA？: 121.65
MolLogP？: 5.426600000000005
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|