10,11-dimethyl 12-ethyl-4-[5-ethyl-3-formyl-9-(methoxycarbonyl)-6-oxo-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-azacycloundeca[5,4-b]indol-9-yl]-10-hydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,?.0²,?.0¹?,¹?]nonadeca-2(7),13-diene-10,11-dicarboxylate
AlkaPlorer ID: AK318497
Synonym: None
IUPAC Name: dimethyl 12-ethyl-4-(6-ethyl-8-formyl-2-methoxycarbonyl-5-oxo-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),12,14,16-tetraen-2-yl)-10-hydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),13-diene-10,11-dicarboxylate
Structure
SMILES: CCC1CN(C=O)CCC2=C(NC3=CC=CC=C23)C(C(=O)OC)(C2CCC3=C(C2)C24CCN5CC=CC(CC)(C(C(=O)OC)C(O)(C(=O)OC)C2N3C)C54)CCC1=O
InChI: InChI=1S/C45H58N4O9/c1-7-27-25-48(26-50)22-17-30-29-12-9-10-13-32(29)46-36(30)43(40(53)57-5,19-16-34(27)51)28-14-15-33-31(24-28)44-20-23-49-21-11-18-42(8-2,38(44)49)35(37(52)56-4)45(55,41(54)58-6)39(44)47(33)3/h9-13,18,26-28,35,38-39,46,55H,7-8,14-17,19-25H2,1-6H3
InChIKey: NXDAIOXOYYWGCB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum bulleyanum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Catharanthus roseus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 798.9780000000002
TPSA？: 158.78
MolLogP？: 4.070700000000004
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|