Discarine B; N-De-Me
AlkaPlorer ID: AK216570
Synonym: Discarine I, N-Demethyldiscarine B
IUPAC Name: N-[7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)pentanamide
Structure
SMILES: CCC(C)C(NC)C(O)=NC1C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC=CC2=CC=C(C=C2)OC1C(C)C
InChI: InChI=1S/C32H41N5O4/c1-6-20(4)27(33-5)31(39)37-28-29(19(2)3)41-23-13-11-21(12-14-23)15-16-34-30(38)26(36-32(28)40)17-22-18-35-25-10-8-7-9-24(22)25/h7-16,18-20,26-29,33,35H,6,17H2,1-5H3,(H,34,38)(H,36,40)(H,37,39)
InChIKey: KYQXCBBTHKLTLT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 559.7110000000001
TPSA？: 134.82
MolLogP？: 6.039100000000004
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|