Araiosamine A; 1-Epimer, 1-Me ether
AlkaPlorer ID: AK289093
Synonym: Araiosamine B
IUPAC Name: 6-[[2-amino-4-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-5-yl]-(6-bromo-1H-indol-3-yl)methyl]-5-(6-bromo-1H-indol-3-yl)-4-methoxy-1,4,5,6-tetrahydropyrimidin-2-amine
Structure
SMILES: COC1NC(=N)NC(C(C2=CNC3=CC(Br)=CC=C23)C2NC(=N)NC2C2=CNC3=CC(Br)=CC=C23)C1C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C33H30Br3N9O/c1-46-31-27(21-12-40-24-9-15(35)3-6-18(21)24)29(43-33(38)45-31)26(20-11-39-23-8-14(34)2-5-17(20)23)30-28(42-32(37)44-30)22-13-41-25-10-16(36)4-7-19(22)25/h2-13,26-31,39-41H,1H3,(H3,37,42,44)(H3,38,43,45)
InChIKey: YBLPVPOGSNVLGH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Clathria | Microcionidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 808.377
TPSA？: 152.42
MolLogP？: 6.991540000000004
Number of H-Donors: 9
Number of H-Acceptors: 3
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|